Glycoside
GD154780
Name:
Hypochoeroside IFormula:
C21H28O9Smiles:
CC1CCC2C(=C3C(COC4OC(CO)C(O)C(O)C4O)=CC(=O)C31)OC(=O)C2CAglycone:
CC1CCC2C(=C3C(CO)=CC(=O)C31)OC(=O)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD61448
Formula: C15H18O4
Smiles:
CC1CCC2C(=C3C(CO)=CC(=O)C31)OC(=O)C2C| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.31 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
