Glycoside
GD012781
Name:
NoneFormula:
C39H62O13Smiles:
CC1CC[C@@]2(C[C@@H]3C[C@@H]4[C@H](CC(=O)[C@@H]5[C@H]4CC[C@@H]4C[C@H](O[C@@H]6OC(CO)[C@H](O[C@@H]7OC(CO)[C@H](O)[C@H](O)C7O)[C@H](O)C6O)CC[C@]45C)[C@H]3[C@H]2C)OC1Aglycone:
CC1CCC2(CC3CC4C(CC(=O)C5C4CCC4CC(O)CCC45C)C3C2C)OC1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 738.91 | Num_heavy_atoms: | 52 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD09600
Formula: C27H42O3
Smiles:
CC1CCC2(CC3CC4C(CC(=O)C5C4CCC4CC(O)CCC45C)C3C2C)OC1| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 5.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
