Glycoside
GD131430
Name:
Hypochoeroside DFormula:
C30H32O11Smiles:
C=C1C(=O)OC2C3C(COC4OC(CO)C(O)C(O)C4O)=CC(=O)C3=C(C)CC(OC(=O)C=Cc3ccccc3)C12Aglycone:
C=C1C(=O)OC2C3C(CO)=CC(=O)C3=C(C)CC(OC(=O)C=Cc3ccccc3)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 568.58 | Num_heavy_atoms: | 41 |
| TPSA: | 169.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD53248
Formula: C24H22O6
Smiles:
C=C1C(=O)OC2C3C(CO)=CC(=O)C3=C(C)CC(OC(=O)C=Cc3ccccc3)C12| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 406.43 | Num_heavy_atoms: | 30 |
| TPSA: | 89.9 | NumAromaticRings: | 1 |
