Glycoside
GD000532
Name:
NoneFormula:
C36H60O7Smiles:
C=C(C)[C@@H]1CC[C@]2(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12Aglycone:
C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 4.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 604.87 | Num_heavy_atoms: | 43 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD00331
Formula: C30H50O2
Smiles:
C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 7.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 442.73 | Num_heavy_atoms: | 32 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
