Glycoside
GD116929
Name:
Hypochoeroside BFormula:
C25H32O11Smiles:
C=C(C)C(=O)OC1CC(C)=C2C(=O)C=C(COC3OC(CO)C(O)C(O)C3O)C2C2OC(=O)C(C)C12Aglycone:
C=C(C)C(=O)OC1CC(C)=C2C(=O)C=C(CO)C2C2OC(=O)C(C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 508.52 | Num_heavy_atoms: | 36 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD46535
Formula: C19H22O6
Smiles:
C=C(C)C(=O)OC1CC(C)=C2C(=O)C=C(CO)C2C2OC(=O)C(C)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
