data_VEI
# 
_chem_comp.id                                    VEI 
_chem_comp.name                                  "(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-17-[(2~{S})-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C42 H72 O13" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "ginsenoside F2" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2023-07-15 
_chem_comp.pdbx_modified_date                    2025-01-24 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        785.013 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     VEI 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        8K09 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
_chem_comp.pdbx_pcm                              ? 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
VEI C10 C1  C 0 1 N N N N N N 15.974 7.182  -18.455 1.903   3.350  0.768  C10 VEI 1   
VEI C13 C2  C 0 1 N N R N N N 16.163 9.221  -15.109 1.088   -0.274 0.226  C13 VEI 2   
VEI C15 C3  C 0 1 N N R N N N 16.094 6.791  -14.358 -1.089  0.977  0.063  C15 VEI 3   
VEI C17 C4  C 0 1 N N N N N N 15.865 4.813  -16.063 -1.228  3.425  0.623  C17 VEI 4   
VEI C20 C5  C 0 1 N N R N N N 16.187 5.717  -13.116 -2.510  0.996  -0.501 C20 VEI 5   
VEI C21 C6  C 0 1 N N N N N N 15.489 6.309  -11.865 -3.189  -0.333 -0.119 C21 VEI 6   
VEI C22 C7  C 0 1 N N N N N N 15.306 5.348  -10.665 -4.632  -0.326 -0.612 C22 VEI 7   
VEI C24 C8  C 0 1 N N N N N N 14.969 3.376  -12.294 -4.769  2.158  -0.101 C24 VEI 8   
VEI C26 C9  C 0 1 N N N N N N 13.816 2.532  -12.809 -5.430  3.078  0.957  C26 VEI 9   
VEI C28 C10 C 0 1 N N R N N N 12.809 3.196  -9.351  -7.676  -0.047 0.111  C28 VEI 10  
VEI C01 C11 C 0 1 N N N N N N 21.809 13.426 -19.458 5.558   -3.425 2.053  C01 VEI 11  
VEI C02 C12 C 0 1 N N N N N N 21.176 12.047 -19.240 4.666   -3.858 0.918  C02 VEI 12  
VEI C03 C13 C 0 1 N N N N N N 20.035 11.640 -19.746 3.848   -2.999 0.363  C03 VEI 13  
VEI C04 C14 C 0 1 N N N N N N 19.331 10.291 -19.576 3.883   -1.550 0.776  C04 VEI 14  
VEI C05 C15 C 0 1 N N N N N N 18.364 9.979  -18.395 4.099   -0.673 -0.459 C05 VEI 15  
VEI C06 C16 C 0 1 N N S N N N 16.927 10.674 -18.382 4.280   0.783  -0.024 C06 VEI 16  
VEI C07 C17 C 0 1 N N N N N N 16.424 11.014 -19.780 4.294   1.686  -1.259 C07 VEI 17  
VEI C08 C18 C 0 1 N N S N N N 15.831 9.620  -17.881 3.123   1.190  0.892  C08 VEI 18  
VEI C09 C19 C 0 1 N N N N N N 15.570 8.561  -19.027 3.234   2.696  1.243  C09 VEI 19  
VEI C11 C20 C 0 1 N N R N N N 15.792 7.319  -16.906 0.928   2.161  0.810  C11 VEI 20  
VEI C12 C21 C 0 1 N N R N N N 16.398 8.771  -16.647 1.792   1.059  0.148  C12 VEI 21  
VEI C14 C22 C 0 1 N N N N N N 16.780 8.155  -14.090 -0.251  -0.148 -0.531 C14 VEI 22  
VEI C16 C23 C 0 1 N N R N N N 16.451 6.255  -15.878 -0.362  2.318  0.021  C16 VEI 23  
VEI C18 C24 C 0 1 N N N N N N 16.061 3.823  -14.850 -2.594  3.461  -0.079 C18 VEI 24  
VEI C19 C25 C 0 1 N N R N N N 15.404 4.405  -13.540 -3.283  2.122  0.173  C19 VEI 25  
VEI C23 C26 C 0 1 N N S N N N 14.395 4.165  -10.998 -5.425  0.787  0.057  C23 VEI 26  
VEI C25 C27 C 0 1 N N N N N N 16.070 2.404  -11.868 -5.107  2.745  -1.471 C25 VEI 27  
VEI C29 C28 C 0 1 N N R N N N 12.607 1.873  -8.538  -9.067  0.176  -0.489 C29 VEI 28  
VEI C30 C29 C 0 1 N N S N N N 11.868 2.149  -7.215  -10.051 -0.814 0.140  C30 VEI 29  
VEI C31 C30 C 0 1 N N S N N N 12.588 3.262  -6.430  -9.541  -2.240 -0.089 C31 VEI 30  
VEI C32 C31 C 0 1 N N R N N N 12.540 4.571  -7.269  -8.132  -2.370 0.496  C32 VEI 31  
VEI C34 C32 C 0 1 N N N N N N 13.839 5.404  -6.944  -7.591  -3.774 0.218  C34 VEI 32  
VEI C39 C33 C 0 1 N N N N N N 17.653 5.466  -12.699 -2.501  1.097  -2.021 C39 VEI 33  
VEI C40 C34 C 0 1 N N N N N N 17.955 6.242  -16.197 0.004   2.729  -1.414 C40 VEI 34  
VEI C42 C35 C 0 1 N N N N N N 14.298 7.354  -16.692 0.650   1.826  2.280  C42 VEI 35  
VEI C44 C36 C 0 1 N N S N N N 17.040 13.101 -17.846 6.669   0.608  -0.104 C44 VEI 36  
VEI C45 C37 C 0 1 N N R N N N 15.978 14.105 -17.332 7.920   1.159  0.586  C45 VEI 37  
VEI C46 C38 C 0 1 N N S N N N 16.197 14.233 -15.800 9.157   0.769  -0.229 C46 VEI 38  
VEI C47 C39 C 0 1 N N S N N N 17.619 14.815 -15.498 9.198   -0.756 -0.375 C47 VEI 39  
VEI C48 C40 C 0 1 N N R N N N 18.718 13.993 -16.266 7.898   -1.233 -1.028 C48 VEI 40  
VEI C50 C41 C 0 1 N N N N N N 19.396 12.860 -15.424 7.905   -2.760 -1.122 C50 VEI 41  
VEI C55 C42 C 0 1 N N N N N N 21.997 11.126 -18.365 4.715   -5.280 0.422  C55 VEI 42  
VEI O27 O1  O 0 1 N N N N N N 14.113 3.365  -9.832  -6.741  0.836  -0.512 O27 VEI 43  
VEI O33 O2  O 0 1 N N N N N N 12.311 4.323  -8.650  -7.275  -1.400 -0.110 O33 VEI 44  
VEI O35 O3  O 0 1 N N N N N N 14.947 4.600  -6.993  -6.326  -3.934 0.863  O35 VEI 45  
VEI O36 O4  O 0 1 N N N N N N 12.004 3.428  -5.224  -10.413 -3.169 0.557  O36 VEI 46  
VEI O37 O5  O 0 1 N N N N N N 11.818 1.023  -6.447  -11.336 -0.663 -0.467 O37 VEI 47  
VEI O38 O6  O 0 1 N N N N N N 11.885 0.976  -9.257  -9.495  1.512  -0.218 O38 VEI 48  
VEI O41 O7  O 0 1 N N N N N N 16.881 10.426 -14.866 1.883   -1.284 -0.408 O41 VEI 49  
VEI O43 O8  O 0 1 N N N N N N 16.891 11.770 -17.481 5.516   0.920  0.680  O43 VEI 50  
VEI O49 O9  O 0 1 N N N N N N 18.308 13.563 -17.559 6.786   -0.810 -0.236 O49 VEI 51  
VEI O51 O10 O 0 1 N N N N N N 18.873 12.692 -14.187 6.747   -3.199 -1.835 O51 VEI 52  
VEI O52 O11 O 0 1 N N N N N N 17.666 16.125 -15.793 10.309  -1.127 -1.194 O52 VEI 53  
VEI O53 O12 O 0 1 N N N N N N 15.914 13.073 -15.186 10.335  1.216  0.446  O53 VEI 54  
VEI O54 O13 O 0 1 N N N N N N 16.015 15.266 -18.025 7.832   2.583  0.667  O54 VEI 55  
VEI H1  H1  H 0 1 N N N N N N 15.321 6.392  -18.853 1.587   4.122  1.470  H1  VEI 56  
VEI H2  H2  H 0 1 N N N N N N 17.021 6.952  -18.703 2.019   3.756  -0.230 H2  VEI 57  
VEI H3  H3  H 0 1 N N N N N N 15.085 9.333  -14.921 0.904   -0.568 1.257  H3  VEI 58  
VEI H4  H4  H 0 1 N N N N N N 15.022 7.029  -14.414 -1.232  0.705  1.133  H4  VEI 59  
VEI H5  H5  H 0 1 N N N N N N 14.785 4.910  -16.246 -1.395  3.253  1.684  H5  VEI 60  
VEI H6  H6  H 0 1 N N N N N N 16.347 4.365  -16.944 -0.734  4.387  0.484  H6  VEI 61  
VEI H7  H7  H 0 1 N N N N N N 16.087 7.166  -11.521 -2.647  -1.156 -0.581 H7  VEI 62  
VEI H8  H8  H 0 1 N N N N N N 14.492 6.658  -12.171 -3.169  -0.440 0.965  H8  VEI 63  
VEI H9  H9  H 0 1 N N N N N N 16.292 4.962  -10.368 -4.681  -0.237 -1.693 H9  VEI 64  
VEI H10 H10 H 0 1 N N N N N N 14.865 5.909  -9.828  -5.092  -1.291 -0.344 H10 VEI 65  
VEI H11 H11 H 0 1 N N N N N N 13.491 1.835  -12.023 -6.509  3.096  0.800  H11 VEI 66  
VEI H12 H12 H 0 1 N N N N N N 12.977 3.187  -13.087 -5.215  2.696  1.956  H12 VEI 67  
VEI H13 H13 H 0 1 N N N N N N 14.144 1.963  -13.691 -5.032  4.088  0.861  H13 VEI 68  
VEI H14 H14 H 0 1 N N N N N N 12.166 3.078  -10.236 -7.706  0.153  1.182  H14 VEI 69  
VEI H15 H15 H 0 1 N N N N N N 22.763 13.483 -18.913 6.096   -4.289 2.442  H15 VEI 70  
VEI H16 H16 H 0 1 N N N N N N 21.991 13.580 -20.532 6.271   -2.684 1.691  H16 VEI 71  
VEI H17 H17 H 0 1 N N N N N N 21.127 14.205 -19.086 4.950   -2.988 2.846  H17 VEI 72  
VEI H18 H18 H 0 1 N N N N N N 19.521 12.357 -20.369 3.148   -3.328 -0.391 H18 VEI 73  
VEI H19 H19 H 0 1 N N N N N N 18.746 10.137 -20.495 2.937   -1.284 1.249  H19 VEI 74  
VEI H20 H20 H 0 1 N N N N N N 20.130 9.537  -19.520 4.699   -1.393 1.481  H20 VEI 75  
VEI H21 H21 H 0 1 N N N N N N 18.199 8.892  -18.390 4.991   -1.007 -0.990 H21 VEI 76  
VEI H22 H22 H 0 1 N N N N N N 18.877 10.277 -17.468 3.234   -0.751 -1.116 H22 VEI 77  
VEI H23 H23 H 0 1 N N N N N N 15.434 11.488 -19.709 3.320   1.650  -1.747 H23 VEI 78  
VEI H24 H24 H 0 1 N N N N N N 17.128 11.706 -20.265 4.512   2.711  -0.958 H24 VEI 79  
VEI H25 H25 H 0 1 N N N N N N 16.347 10.093 -20.376 5.060   1.340  -1.953 H25 VEI 80  
VEI H26 H26 H 0 1 N N N N N N 14.899 10.133 -17.602 3.121   0.582  1.792  H26 VEI 81  
VEI H27 H27 H 0 1 N N N N N N 16.181 8.799  -19.910 4.074   3.141  0.707  H27 VEI 82  
VEI H28 H28 H 0 1 N N N N N N 14.506 8.559  -19.307 3.360   2.829  2.314  H28 VEI 83  
VEI H29 H29 H 0 1 N N N N N N 17.486 8.693  -16.789 1.988   1.296  -0.903 H29 VEI 84  
VEI H30 H30 H 0 1 N N N N N N 17.864 8.067  -14.252 -0.045  0.032  -1.580 H30 VEI 85  
VEI H31 H31 H 0 1 N N N N N N 16.589 8.473  -13.054 -0.790  -1.092 -0.428 H31 VEI 86  
VEI H32 H32 H 0 1 N N N N N N 15.590 2.859  -15.092 -3.176  4.275  0.362  H32 VEI 87  
VEI H33 H33 H 0 1 N N N N N N 17.137 3.673  -14.678 -2.470  3.652  -1.136 H33 VEI 88  
VEI H34 H34 H 0 1 N N N N N N 14.433 4.788  -13.888 -3.177  1.938  1.275  H34 VEI 89  
VEI H35 H35 H 0 1 N N N N N N 13.440 4.601  -11.328 -5.525  0.566  1.126  H35 VEI 90  
VEI H36 H36 H 0 1 N N N N N N 15.702 1.768  -11.049 -6.178  2.938  -1.529 H36 VEI 91  
VEI H37 H37 H 0 1 N N N N N N 16.353 1.773  -12.723 -4.561  3.678  -1.611 H37 VEI 92  
VEI H38 H38 H 0 1 N N N N N N 16.948 2.972  -11.525 -4.822  2.037  -2.249 H38 VEI 93  
VEI H39 H39 H 0 1 N N N N N N 13.602 1.469  -8.298  -9.028  0.016  -1.567 H39 VEI 94  
VEI H40 H40 H 0 1 N N N N N N 10.853 2.500  -7.455  -10.128 -0.621 1.211  H40 VEI 95  
VEI H41 H41 H 0 1 N N N N N N 13.643 2.972  -6.316  -9.513  -2.449 -1.158 H41 VEI 96  
VEI H42 H42 H 0 1 N N N N N N 11.694 5.158  -6.883  -8.168  -2.201 1.572  H42 VEI 97  
VEI H43 H43 H 0 1 N N N N N N 13.945 6.213  -7.682  -8.291  -4.516 0.602  H43 VEI 98  
VEI H44 H44 H 0 1 N N N N N N 13.749 5.837  -5.937  -7.471  -3.911 -0.857 H44 VEI 99  
VEI H45 H45 H 0 1 N N N N N N 17.680 4.745  -11.869 -1.704  0.472  -2.422 H45 VEI 100 
VEI H46 H46 H 0 1 N N N N N N 18.213 5.061  -13.555 -3.461  0.758  -2.412 H46 VEI 101 
VEI H47 H47 H 0 1 N N N N N N 18.110 6.413  -12.377 -2.334  2.133  -2.315 H47 VEI 102 
VEI H48 H48 H 0 1 N N N N N N 18.466 5.534  -15.528 0.503   3.698  -1.397 H48 VEI 103 
VEI H49 H49 H 0 1 N N N N N N 18.105 5.933  -17.242 0.672   1.984  -1.846 H49 VEI 104 
VEI H50 H50 H 0 1 N N N N N N 18.370 7.250  -16.049 -0.902  2.798  -2.015 H50 VEI 105 
VEI H51 H51 H 0 1 N N N N N N 14.083 7.450  -15.617 0.197   2.688  2.770  H51 VEI 106 
VEI H52 H52 H 0 1 N N N N N N 13.871 8.213  -17.229 -0.031  0.976  2.336  H52 VEI 107 
VEI H53 H53 H 0 1 N N N N N N 13.851 6.424  -17.073 1.586   1.575  2.779  H53 VEI 108 
VEI H54 H54 H 0 1 N N N N N N 16.941 13.132 -18.941 6.570   1.058  -1.092 H54 VEI 109 
VEI H55 H55 H 0 1 N N N N N N 14.997 13.629 -17.473 7.997   0.740  1.589  H55 VEI 110 
VEI H56 H56 H 0 1 N N N N N N 15.482 14.995 -15.455 9.104   1.228  -1.216 H56 VEI 111 
VEI H57 H57 H 0 1 N N N N N N 17.804 14.668 -14.424 9.301   -1.213 0.609  H57 VEI 112 
VEI H58 H58 H 0 1 N N N N N N 19.525 14.720 -16.438 7.815   -0.807 -2.028 H58 VEI 113 
VEI H59 H59 H 0 1 N N N N N N 19.290 11.913 -15.974 8.802   -3.087 -1.650 H59 VEI 114 
VEI H60 H60 H 0 1 N N N N N N 20.463 13.104 -15.316 7.898   -3.187 -0.119 H60 VEI 115 
VEI H61 H61 H 0 1 N N N N N N 22.911 11.645 -18.041 5.448   -5.842 1.001  H61 VEI 116 
VEI H62 H62 H 0 1 N N N N N N 21.407 10.837 -17.483 3.733   -5.739 0.537  H62 VEI 117 
VEI H63 H63 H 0 1 N N N N N N 22.270 10.226 -18.935 4.999   -5.289 -0.630 H63 VEI 118 
VEI H64 H64 H 0 1 N N N N N N 15.721 5.114  -6.795  -5.923  -4.803 0.729  H64 VEI 119 
VEI H65 H65 H 0 1 N N N N N N 12.048 2.614  -4.736  -11.326 -3.139 0.238  H65 VEI 120 
VEI H66 H66 H 0 1 N N N N N N 11.360 1.212  -5.637  -11.717 0.220  -0.366 H66 VEI 121 
VEI H67 H67 H 0 1 N N N N N N 11.772 0.181  -8.750  -8.914  2.193  -0.584 H67 VEI 122 
VEI H68 H68 H 0 1 N N N N N N 16.749 10.698 -13.965 1.505   -2.172 -0.358 H68 VEI 123 
VEI H69 H69 H 0 1 N N N N N N 19.334 11.991 -13.740 6.686   -4.159 -1.934 H69 VEI 124 
VEI H70 H70 H 0 1 N N N N N N 16.988 16.583 -15.310 11.166  -0.852 -0.841 H70 VEI 125 
VEI H71 H71 H 0 1 N N N N N N 16.053 13.167 -14.251 10.372  2.173  0.579  H71 VEI 126 
VEI H72 H72 H 0 1 N N N N N N 15.354 15.858 -17.687 8.593   3.001  1.094  H72 VEI 127 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
VEI C07 C06 SING N N 1   
VEI C03 C04 SING N N 2   
VEI C03 C02 DOUB N N 3   
VEI C04 C05 SING N N 4   
VEI C01 C02 SING N N 5   
VEI C02 C55 SING N N 6   
VEI C09 C10 SING N N 7   
VEI C09 C08 SING N N 8   
VEI C10 C11 SING N N 9   
VEI C05 C06 SING N N 10  
VEI C06 C08 SING N N 11  
VEI C06 O43 SING N N 12  
VEI O54 C45 SING N N 13  
VEI C08 C12 SING N N 14  
VEI C44 O49 SING N N 15  
VEI C44 O43 SING N N 16  
VEI C44 C45 SING N N 17  
VEI O49 C48 SING N N 18  
VEI C45 C46 SING N N 19  
VEI C11 C42 SING N N 20  
VEI C11 C12 SING N N 21  
VEI C11 C16 SING N N 22  
VEI C12 C13 SING N N 23  
VEI C48 C47 SING N N 24  
VEI C48 C50 SING N N 25  
VEI C40 C16 SING N N 26  
VEI C17 C16 SING N N 27  
VEI C17 C18 SING N N 28  
VEI C16 C15 SING N N 29  
VEI C46 C47 SING N N 30  
VEI C46 O53 SING N N 31  
VEI O52 C47 SING N N 32  
VEI C50 O51 SING N N 33  
VEI C13 O41 SING N N 34  
VEI C13 C14 SING N N 35  
VEI C18 C19 SING N N 36  
VEI C15 C14 SING N N 37  
VEI C15 C20 SING N N 38  
VEI C19 C20 SING N N 39  
VEI C19 C24 SING N N 40  
VEI C20 C39 SING N N 41  
VEI C20 C21 SING N N 42  
VEI C26 C24 SING N N 43  
VEI C24 C25 SING N N 44  
VEI C24 C23 SING N N 45  
VEI C21 C22 SING N N 46  
VEI C23 C22 SING N N 47  
VEI C23 O27 SING N N 48  
VEI O27 C28 SING N N 49  
VEI C28 O33 SING N N 50  
VEI C28 C29 SING N N 51  
VEI O38 C29 SING N N 52  
VEI O33 C32 SING N N 53  
VEI C29 C30 SING N N 54  
VEI C32 C34 SING N N 55  
VEI C32 C31 SING N N 56  
VEI C30 O37 SING N N 57  
VEI C30 C31 SING N N 58  
VEI O35 C34 SING N N 59  
VEI C31 O36 SING N N 60  
VEI C10 H1  SING N N 61  
VEI C10 H2  SING N N 62  
VEI C13 H3  SING N N 63  
VEI C15 H4  SING N N 64  
VEI C17 H5  SING N N 65  
VEI C17 H6  SING N N 66  
VEI C21 H7  SING N N 67  
VEI C21 H8  SING N N 68  
VEI C22 H9  SING N N 69  
VEI C22 H10 SING N N 70  
VEI C26 H11 SING N N 71  
VEI C26 H12 SING N N 72  
VEI C26 H13 SING N N 73  
VEI C28 H14 SING N N 74  
VEI C01 H15 SING N N 75  
VEI C01 H16 SING N N 76  
VEI C01 H17 SING N N 77  
VEI C03 H18 SING N N 78  
VEI C04 H19 SING N N 79  
VEI C04 H20 SING N N 80  
VEI C05 H21 SING N N 81  
VEI C05 H22 SING N N 82  
VEI C07 H23 SING N N 83  
VEI C07 H24 SING N N 84  
VEI C07 H25 SING N N 85  
VEI C08 H26 SING N N 86  
VEI C09 H27 SING N N 87  
VEI C09 H28 SING N N 88  
VEI C12 H29 SING N N 89  
VEI C14 H30 SING N N 90  
VEI C14 H31 SING N N 91  
VEI C18 H32 SING N N 92  
VEI C18 H33 SING N N 93  
VEI C19 H34 SING N N 94  
VEI C23 H35 SING N N 95  
VEI C25 H36 SING N N 96  
VEI C25 H37 SING N N 97  
VEI C25 H38 SING N N 98  
VEI C29 H39 SING N N 99  
VEI C30 H40 SING N N 100 
VEI C31 H41 SING N N 101 
VEI C32 H42 SING N N 102 
VEI C34 H43 SING N N 103 
VEI C34 H44 SING N N 104 
VEI C39 H45 SING N N 105 
VEI C39 H46 SING N N 106 
VEI C39 H47 SING N N 107 
VEI C40 H48 SING N N 108 
VEI C40 H49 SING N N 109 
VEI C40 H50 SING N N 110 
VEI C42 H51 SING N N 111 
VEI C42 H52 SING N N 112 
VEI C42 H53 SING N N 113 
VEI C44 H54 SING N N 114 
VEI C45 H55 SING N N 115 
VEI C46 H56 SING N N 116 
VEI C47 H57 SING N N 117 
VEI C48 H58 SING N N 118 
VEI C50 H59 SING N N 119 
VEI C50 H60 SING N N 120 
VEI C55 H61 SING N N 121 
VEI C55 H62 SING N N 122 
VEI C55 H63 SING N N 123 
VEI O35 H64 SING N N 124 
VEI O36 H65 SING N N 125 
VEI O37 H66 SING N N 126 
VEI O38 H67 SING N N 127 
VEI O41 H68 SING N N 128 
VEI O51 H69 SING N N 129 
VEI O52 H70 SING N N 130 
VEI O53 H71 SING N N 131 
VEI O54 H72 SING N N 132 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
VEI InChI            InChI                1.06  "InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,55-37-35(51)33(49)31(47)25(20-44)53-37)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1" 
VEI InChIKey         InChI                1.06  SWIROVJVGRGSPO-JBVRGBGGSA-N                                                                                                                                                                                                                                                                                                 
VEI SMILES_CANONICAL CACTVS               3.385 "CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C"                                                                                                                                   
VEI SMILES           CACTVS               3.385 "CC(C)=CCC[C](C)(O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH]2CC[C]3(C)[CH]2[CH](O)C[CH]4[C]5(C)CC[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)C(C)(C)[CH]5CC[C]34C"                                                                                                                                                                
VEI SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C"                                                                                                                             
VEI SMILES           "OpenEye OEToolkits" 2.0.7 "CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C"                                                                                                                                                                                                                    
# 
_pdbx_chem_comp_identifier.comp_id           VEI 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-17-[(2~{S})-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
VEI "Create component"   2023-07-15 PDBJ 
VEI "Modify coordinates" 2023-11-24 PDBJ 
VEI "Modify name"        2023-11-24 PDBJ 
VEI "Modify synonyms"    2023-11-24 PDBJ 
VEI "Initial release"    2025-01-29 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      VEI 
_pdbx_chem_comp_synonyms.name         "ginsenoside F2" 
_pdbx_chem_comp_synonyms.provenance   PUBCHEM 
_pdbx_chem_comp_synonyms.type         ? 
# 
