data_8YG
# 
_chem_comp.id                                    8YG 
_chem_comp.name                                  "Ginsenoside Rh2" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C36 H62 O8" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2021-12-28 
_chem_comp.pdbx_modified_date                    2025-01-30 
_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                        622.873 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     8YG 
_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        8K08 
_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 
8YG C10 C1  C 0 1 N N R N N N -33.635 -6.899  17.950 -2.970  -0.428 1.577  C10 8YG 1   
8YG C13 C2  C 0 1 N N R N N N -33.889 -6.617  16.387 -3.661  0.670  0.731  C13 8YG 2   
8YG C15 C3  C 0 1 N N N N N N -33.532 -8.642  19.874 -1.152  -2.149 1.569  C15 8YG 3   
8YG C17 C4  C 0 1 N N S N N N -33.527 -5.012  16.345 -4.894  1.010  1.571  C17 8YG 4   
8YG C20 C5  C 0 1 N N N N N N -33.207 -10.149 20.272 0.089   -2.646 0.809  C20 8YG 5   
8YG C21 C6  C 0 1 N N N N N N -31.155 -11.965 20.179 2.471   -1.895 0.362  C21 8YG 6   
8YG C22 C7  C 0 1 N N N N N N -34.145 -4.470  17.716 -5.266  -0.317 2.282  C22 8YG 7   
8YG C24 C8  C 0 1 N N N N N N -35.338 -8.729  18.142 -2.437  -1.663 -0.499 C24 8YG 8   
8YG C26 C9  C 0 1 N N N N N N -33.564 -11.800 17.742 0.269   -0.806 -1.628 C26 8YG 9   
8YG C28 C10 C 0 1 N N N N N N -30.870 -12.884 17.720 2.789   0.381  -0.717 C28 8YG 10  
8YG C09 C11 C 0 1 N N R N N N -33.820 -8.416  18.348 -1.837  -1.039 0.770  C09 8YG 11  
8YG C11 C12 C 0 1 N N R N N N -32.826 -9.303  17.413 -0.852  0.082  0.448  C11 8YG 12  
8YG C12 C13 C 0 1 N N R N N N -32.393 -10.811 17.965 0.464   -0.378 -0.179 C12 8YG 13  
8YG C14 C14 C 0 1 N N R N N N -31.955 -10.694 19.487 1.060   -1.472 0.697  C14 8YG 14  
8YG C16 C15 C 0 1 N N N N N N -33.348 -9.213  15.952 -1.503  1.209  -0.342 C16 8YG 15  
8YG C18 C16 C 0 1 N N R N N N -33.201 -7.695  15.421 -2.694  1.795  0.447  C18 8YG 16  
8YG C19 C17 C 0 1 N N N N N N -34.493 -5.741  18.584 -4.168  -1.344 1.882  C19 8YG 17  
8YG C23 C18 C 0 1 N N N N N N -31.250 -11.470 17.158 1.436   0.818  -0.164 C23 8YG 18  
8YG C25 C19 C 0 1 N N N N N N -32.174 -6.508  18.283 -2.465  0.148  2.906  C25 8YG 19  
8YG C27 C20 C 0 1 N N S N N N -30.231 -12.833 19.152 3.403   -0.700 0.162  C27 8YG 20  
8YG C29 C21 C 0 1 N N S N N N -34.186 -4.288  15.219 -6.044  1.455  0.663  C29 8YG 21  
8YG C30 C22 C 0 1 N N N N N N -32.144 -12.918 20.901 2.542   -2.823 -0.851 C30 8YG 22  
8YG C31 C23 C 0 1 N N N N N N -30.228 -11.378 21.278 3.036   -2.686 1.569  C31 8YG 23  
8YG C32 C24 C 0 1 N N N N N N -35.725 -4.716  15.057 -6.403  0.320  -0.298 C32 8YG 24  
8YG C33 C25 C 0 1 N N N N N N -34.145 -2.760  15.570 -7.263  1.804  1.519  C33 8YG 25  
8YG C34 C26 C 0 1 N N N N N N -36.421 -4.195  13.758 -7.575  0.753  -1.182 C34 8YG 26  
8YG C35 C27 C 0 1 N N R N N N -28.593 -14.617 19.649 5.782   -0.431 -0.020 C35 8YG 27  
8YG C36 C28 C 0 1 N N R N N N -28.191 -15.523 18.433 7.033   -1.079 -0.619 C36 8YG 28  
8YG C37 C29 C 0 1 N N N N N N -36.565 -5.129  12.556 -7.929  -0.365 -2.129 C37 8YG 29  
8YG C38 C30 C 0 1 N N S N N N -26.683 -15.696 18.297 8.264   -0.260 -0.219 C38 8YG 30  
8YG C39 C31 C 0 1 N N R N N N -26.341 -13.566 19.606 6.785   1.746  -0.087 C39 8YG 31  
8YG C40 C32 C 0 1 N N S N N N -25.943 -14.370 18.344 8.077   1.186  -0.688 C40 8YG 32  
8YG C41 C33 C 0 1 N N N N N N -35.996 -5.021  11.355 -9.154  -0.825 -2.170 C41 8YG 33  
8YG C42 C34 C 0 1 N N N N N N -25.648 -12.174 19.566 6.560   3.170  -0.598 C42 8YG 34  
8YG C43 C35 C 0 1 N N N N N N -36.191 -6.014  10.185 -10.210 -0.237 -1.270 C43 8YG 35  
8YG C44 C36 C 0 1 N N N N N N -35.054 -3.835  11.020 -9.508  -1.943 -3.117 C44 8YG 36  
8YG O01 O1  O 0 1 N N N N N N -33.852 -7.589  14.177 -3.332  2.796  -0.357 O01 8YG 37  
8YG O02 O2  O 0 1 N N N N N N -29.945 -14.183 19.593 4.624   -1.157 -0.435 O02 8YG 38  
8YG O03 O3  O 0 1 N N N N N N -33.447 -4.576  14.099 -5.642  2.604  -0.085 O03 8YG 39  
8YG O04 O4  O 0 1 N N N N N N -27.773 -13.436 19.690 5.684   0.921  -0.472 O04 8YG 40  
8YG O05 O5  O 0 1 N N N N N N -28.771 -16.785 18.592 7.165   -2.413 -0.123 O05 8YG 41  
8YG O06 O6  O 0 1 N N N N N N -26.395 -16.316 17.040 9.428   -0.815 -0.834 O06 8YG 42  
8YG O07 O7  O 0 1 N N N N N N -24.548 -14.525 18.258 9.187   1.976  -0.257 O07 8YG 43  
8YG O08 O8  O 0 1 N N N N N N -26.622 -11.181 19.419 5.419   3.734  0.051  O08 8YG 44  
8YG H1  H1  H 0 1 N N N N N N -34.974 -6.693  16.225 -4.020  0.262  -0.219 H1  8YG 45  
8YG H2  H2  H 0 1 N N N N N N -32.670 -8.019  20.156 -1.843  -2.982 1.699  H2  8YG 46  
8YG H3  H3  H 0 1 N N N N N N -34.418 -8.321  20.441 -0.830  -1.784 2.541  H3  8YG 47  
8YG H4  H4  H 0 1 N N N N N N -32.435 -4.877  16.337 -4.662  1.785  2.295  H4  8YG 48  
8YG H5  H5  H 0 1 N N N N N N -34.079 -10.777 20.036 0.538   -3.453 1.392  H5  8YG 49  
8YG H6  H6  H 0 1 N N N N N N -33.001 -10.198 21.352 -0.189  -3.028 -0.163 H6  8YG 50  
8YG H7  H7  H 0 1 N N N N N N -33.411 -3.841  18.241 -5.281  -0.179 3.361  H7  8YG 51  
8YG H8  H8  H 0 1 N N N N N N -35.055 -3.885  17.518 -6.240  -0.664 1.935  H8  8YG 52  
8YG H9  H9  H 0 1 N N N N N N -35.938 -8.091  18.807 -2.800  -0.873 -1.156 H9  8YG 53  
8YG H10 H10 H 0 1 N N N N N N -35.615 -8.531  17.096 -1.672  -2.242 -1.016 H10 8YG 54  
8YG H11 H11 H 0 1 N N N N N N -35.530 -9.786  18.378 -3.265  -2.317 -0.226 H11 8YG 55  
8YG H12 H12 H 0 1 N N N N N N -34.456 -11.439 18.275 -0.269  -0.027 -2.167 H12 8YG 56  
8YG H13 H13 H 0 1 N N N N N N -33.784 -11.872 16.667 1.242   -0.965 -2.093 H13 8YG 57  
8YG H14 H14 H 0 1 N N N N N N -33.284 -12.792 18.126 -0.304  -1.732 -1.659 H14 8YG 58  
8YG H15 H15 H 0 1 N N N N N N -31.782 -13.498 17.766 2.706   0.041  -1.744 H15 8YG 59  
8YG H16 H16 H 0 1 N N N N N N -30.149 -13.350 17.033 3.460   1.255  -0.715 H16 8YG 60  
8YG H17 H17 H 0 1 N N N N N N -31.881 -8.740  17.412 -0.538  0.540  1.412  H17 8YG 61  
8YG H18 H18 H 0 1 N N N N N N -31.226 -9.871  19.508 1.108   -1.032 1.729  H18 8YG 62  
8YG H19 H19 H 0 1 N N N N N N -34.406 -9.511  15.922 -0.775  2.006  -0.500 H19 8YG 63  
8YG H20 H20 H 0 1 N N N N N N -32.759 -9.885  15.310 -1.859  0.856  -1.304 H20 8YG 64  
8YG H21 H21 H 0 1 N N N N N N -32.130 -7.457  15.334 -2.337  2.255  1.365  H21 8YG 65  
8YG H22 H22 H 0 1 N N N N N N -34.214 -5.582  19.636 -4.484  -1.914 1.016  H22 8YG 66  
8YG H23 H23 H 0 1 N N N N N N -35.566 -5.973  18.521 -3.937  -2.001 2.721  H23 8YG 67  
8YG H24 H24 H 0 1 N N N N N N -30.363 -10.820 17.203 1.551   1.164  0.863  H24 8YG 68  
8YG H25 H25 H 0 1 N N N N N N -31.572 -11.579 16.112 1.028   1.617  -0.780 H25 8YG 69  
8YG H26 H26 H 0 1 N N N N N N -31.978 -6.693  19.349 -1.725  0.923  2.708  H26 8YG 70  
8YG H27 H27 H 0 1 N N N N N N -31.485 -7.111  17.674 -3.302  0.577  3.458  H27 8YG 71  
8YG H28 H28 H 0 1 N N N N N N -32.021 -5.441  18.062 -2.010  -0.647 3.497  H28 8YG 72  
8YG H29 H29 H 0 1 N N N N N N -29.279 -12.289 19.059 3.642   -0.273 1.143  H29 8YG 73  
8YG H30 H30 H 0 1 N N N N N N -32.771 -12.339 21.596 1.855   -3.657 -0.710 H30 8YG 74  
8YG H31 H31 H 0 1 N N N N N N -32.784 -13.415 20.157 2.264   -2.270 -1.748 H31 8YG 75  
8YG H32 H32 H 0 1 N N N N N N -31.579 -13.676 21.463 3.558   -3.203 -0.958 H32 8YG 76  
8YG H33 H33 H 0 1 N N N N N N -30.827 -10.786 21.986 4.067   -2.974 1.363  H33 8YG 77  
8YG H34 H34 H 0 1 N N N N N N -29.731 -12.199 21.815 3.005   -2.060 2.460  H34 8YG 78  
8YG H35 H35 H 0 1 N N N N N N -29.469 -10.733 20.811 2.434   -3.580 1.731  H35 8YG 79  
8YG H36 H36 H 0 1 N N N N N N -36.281 -4.326  15.922 -5.542  0.088  -0.924 H36 8YG 80  
8YG H37 H37 H 0 1 N N N N N N -35.775 -5.815  15.054 -6.686  -0.564 0.273  H37 8YG 81  
8YG H38 H38 H 0 1 N N N N N N -34.748 -2.574  16.471 -7.018  2.636  2.178  H38 8YG 82  
8YG H39 H39 H 0 1 N N N N N N -33.105 -2.454  15.756 -8.093  2.086  0.871  H39 8YG 83  
8YG H40 H40 H 0 1 N N N N N N -34.553 -2.180  14.729 -7.547  0.938  2.117  H40 8YG 84  
8YG H41 H41 H 0 1 N N N N N N -35.848 -3.320  13.417 -8.436  0.985  -0.556 H41 8YG 85  
8YG H42 H42 H 0 1 N N N N N N -37.436 -3.881  14.043 -7.292  1.637  -1.753 H42 8YG 86  
8YG H43 H43 H 0 1 N N N N N N -28.433 -15.202 20.567 5.850   -0.447 1.068  H43 8YG 87  
8YG H44 H44 H 0 1 N N N N N N -28.569 -15.045 17.517 6.947   -1.101 -1.706 H44 8YG 88  
8YG H45 H45 H 0 1 N N N N N N -37.209 -5.984  12.698 -7.172  -0.786 -2.774 H45 8YG 89  
8YG H46 H46 H 0 1 N N N N N N -26.325 -16.331 19.121 8.378   -0.280 0.865  H46 8YG 90  
8YG H47 H47 H 0 1 N N N N N N -25.968 -14.107 20.488 6.867   1.759  1.000  H47 8YG 91  
8YG H48 H48 H 0 1 N N N N N N -26.281 -13.783 17.477 8.012   1.210  -1.776 H48 8YG 92  
8YG H49 H49 H 0 1 N N N N N N -24.951 -12.134 18.716 7.438   3.778  -0.382 H49 8YG 93  
8YG H50 H50 H 0 1 N N N N N N -25.095 -12.011 20.503 6.390   3.147  -1.675 H50 8YG 94  
8YG H51 H51 H 0 1 N N N N N N -36.868 -6.822  10.498 -10.321 0.825  -1.485 H51 8YG 95  
8YG H52 H52 H 0 1 N N N N N N -36.626 -5.485  9.324  -11.159 -0.744 -1.444 H52 8YG 96  
8YG H53 H53 H 0 1 N N N N N N -35.218 -6.441  9.900  -9.914  -0.368 -0.229 H53 8YG 97  
8YG H54 H54 H 0 1 N N N N N N -34.966 -3.177  11.897 -9.359  -2.901 -2.620 H54 8YG 98  
8YG H55 H55 H 0 1 N N N N N N -34.060 -4.221  10.751 -10.552 -1.848 -3.417 H55 8YG 99  
8YG H56 H56 H 0 1 N N N N N N -35.468 -3.266  10.174 -8.870  -1.888 -3.999 H56 8YG 100 
8YG H57 H57 H 0 1 N N N N N N -33.773 -6.700  13.853 -2.753  3.532  -0.600 H57 8YG 101 
8YG H58 H58 H 0 1 N N N N N N -32.546 -4.308  14.236 -5.108  2.399  -0.864 H58 8YG 102 
8YG H59 H59 H 0 1 N N N N N N -29.713 -16.693 18.678 6.416   -2.987 -0.336 H59 8YG 103 
8YG H60 H60 H 0 1 N N N N N N -26.848 -17.149 16.986 9.608   -1.731 -0.581 H60 8YG 104 
8YG H61 H61 H 0 1 N N N N N N -24.131 -13.672 18.291 10.040  1.674  -0.597 H61 8YG 105 
8YG H62 H62 H 0 1 N N N N N N -26.204 -10.328 19.394 5.216   4.639  -0.226 H62 8YG 106 
# 
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 
8YG C43 C41 SING N N 1   
8YG C44 C41 SING N N 2   
8YG C41 C37 DOUB N N 3   
8YG C37 C34 SING N N 4   
8YG C34 C32 SING N N 5   
8YG O03 C29 SING N N 6   
8YG O01 C18 SING N N 7   
8YG C32 C29 SING N N 8   
8YG C29 C33 SING N N 9   
8YG C29 C17 SING N N 10  
8YG C18 C16 SING N N 11  
8YG C18 C13 SING N N 12  
8YG C16 C11 SING N N 13  
8YG C17 C13 SING N N 14  
8YG C17 C22 SING N N 15  
8YG C13 C10 SING N N 16  
8YG O06 C38 SING N N 17  
8YG C23 C28 SING N N 18  
8YG C23 C12 SING N N 19  
8YG C11 C12 SING N N 20  
8YG C11 C09 SING N N 21  
8YG C22 C19 SING N N 22  
8YG C28 C27 SING N N 23  
8YG C26 C12 SING N N 24  
8YG C10 C25 SING N N 25  
8YG C10 C09 SING N N 26  
8YG C10 C19 SING N N 27  
8YG C12 C14 SING N N 28  
8YG C24 C09 SING N N 29  
8YG O07 C40 SING N N 30  
8YG C38 C40 SING N N 31  
8YG C38 C36 SING N N 32  
8YG C40 C39 SING N N 33  
8YG C09 C15 SING N N 34  
8YG C36 O05 SING N N 35  
8YG C36 C35 SING N N 36  
8YG C27 O02 SING N N 37  
8YG C27 C21 SING N N 38  
8YG O08 C42 SING N N 39  
8YG C14 C21 SING N N 40  
8YG C14 C20 SING N N 41  
8YG C42 C39 SING N N 42  
8YG O02 C35 SING N N 43  
8YG C39 O04 SING N N 44  
8YG C35 O04 SING N N 45  
8YG C15 C20 SING N N 46  
8YG C21 C30 SING N N 47  
8YG C21 C31 SING N N 48  
8YG C13 H1  SING N N 49  
8YG C15 H2  SING N N 50  
8YG C15 H3  SING N N 51  
8YG C17 H4  SING N N 52  
8YG C20 H5  SING N N 53  
8YG C20 H6  SING N N 54  
8YG C22 H7  SING N N 55  
8YG C22 H8  SING N N 56  
8YG C24 H9  SING N N 57  
8YG C24 H10 SING N N 58  
8YG C24 H11 SING N N 59  
8YG C26 H12 SING N N 60  
8YG C26 H13 SING N N 61  
8YG C26 H14 SING N N 62  
8YG C28 H15 SING N N 63  
8YG C28 H16 SING N N 64  
8YG C11 H17 SING N N 65  
8YG C14 H18 SING N N 66  
8YG C16 H19 SING N N 67  
8YG C16 H20 SING N N 68  
8YG C18 H21 SING N N 69  
8YG C19 H22 SING N N 70  
8YG C19 H23 SING N N 71  
8YG C23 H24 SING N N 72  
8YG C23 H25 SING N N 73  
8YG C25 H26 SING N N 74  
8YG C25 H27 SING N N 75  
8YG C25 H28 SING N N 76  
8YG C27 H29 SING N N 77  
8YG C30 H30 SING N N 78  
8YG C30 H31 SING N N 79  
8YG C30 H32 SING N N 80  
8YG C31 H33 SING N N 81  
8YG C31 H34 SING N N 82  
8YG C31 H35 SING N N 83  
8YG C32 H36 SING N N 84  
8YG C32 H37 SING N N 85  
8YG C33 H38 SING N N 86  
8YG C33 H39 SING N N 87  
8YG C33 H40 SING N N 88  
8YG C34 H41 SING N N 89  
8YG C34 H42 SING N N 90  
8YG C35 H43 SING N N 91  
8YG C36 H44 SING N N 92  
8YG C37 H45 SING N N 93  
8YG C38 H46 SING N N 94  
8YG C39 H47 SING N N 95  
8YG C40 H48 SING N N 96  
8YG C42 H49 SING N N 97  
8YG C42 H50 SING N N 98  
8YG C43 H51 SING N N 99  
8YG C43 H52 SING N N 100 
8YG C43 H53 SING N N 101 
8YG C44 H54 SING N N 102 
8YG C44 H55 SING N N 103 
8YG C44 H56 SING N N 104 
8YG O01 H57 SING N N 105 
8YG O03 H58 SING N N 106 
8YG O05 H59 SING N N 107 
8YG O06 H60 SING N N 108 
8YG O07 H61 SING N N 109 
8YG O08 H62 SING N N 110 
# 
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 
8YG InChI            InChI                1.06  "InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1" 
8YG InChIKey         InChI                1.06  CKUVNOCSBYYHIS-IRFFNABBSA-N                                                                                                                                                                                                                                        
8YG SMILES_CANONICAL CACTVS               3.385 "CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]23C"                                                                                                                   
8YG SMILES           CACTVS               3.385 "CC(C)=CCC[C](C)(O)[CH]1CC[C]2(C)[CH]1[CH](O)C[CH]3[C]4(C)CC[CH](O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)C(C)(C)[CH]4CC[C]23C"                                                                                                                                         
8YG 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"                                                                                                               
8YG 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)O)C"                                                                                                                                                                                
# 
_pdbx_chem_comp_identifier.comp_id           8YG 
_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})-4,4,8,10,14-pentamethyl-17-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-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 
8YG "Create component"              2021-12-28 PDBJ 
8YG "Modify name"                   2023-11-23 PDBJ 
8YG "Modify coordinates"            2023-11-23 PDBJ 
8YG "Modify model coordinates code" 2023-11-23 PDBJ 
8YG "Initial release"               2025-01-29 RCSB 
8YG "Modify name"                   2025-01-30 PDBJ 
8YG "Modify synonyms"               2025-01-30 PDBJ 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      8YG 
_pdbx_chem_comp_synonyms.name         "(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol" 
_pdbx_chem_comp_synonyms.provenance   PDB 
_pdbx_chem_comp_synonyms.type         ? 
# 
