Glycoside
GD001721
Name:
GORDONOSIDE GFormula:
C52H78O20Smiles:
CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)=CC)[C@@]2(CO)[C@H](O)[C@@H](O)[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@](C)(C(=O)OC)[C@H]5CC[C@]43C)[C@H]2CC1(C)CAglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C(=O)OC)C4CCC3(C)C1(C)C(O)C2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 1023.18 | Num_heavy_atoms: | 72 |
| TPSA: | 314.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD01694
Formula: C41H62O10
Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C(=O)OC)C4CCC3(C)C1(C)C(O)C2O| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 5.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 714.94 | Num_heavy_atoms: | 51 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
