Glycoside
GD146082
Name:
Hypochoeroside FFormula:
C30H34O11Smiles:
C=C1C(=O)OC2C1C(OC(=O)C=Cc1ccccc1)CC(C)C1C(=O)C=C(COC3OC(CO)C(O)C(O)C3O)C21Aglycone:
C=C1C(=O)OC2C1C(OC(=O)C=Cc1ccccc1)CC(C)C1C(=O)C=C(CO)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 570.59 | Num_heavy_atoms: | 41 |
| TPSA: | 169.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD58601
Formula: C24H24O6
Smiles:
C=C1C(=O)OC2C1C(OC(=O)C=Cc1ccccc1)CC(C)C1C(=O)C=C(CO)C21| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.45 | Num_heavy_atoms: | 30 |
| TPSA: | 89.9 | NumAromaticRings: | 1 |
