Glycoside
GD107774
Name:
Amorphigenin O-GlucosideFormula:
C29H32O12Smiles:
C=C(CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1Aglycone:
C=C(CO)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 572.56 | Num_heavy_atoms: | 41 |
| TPSA: | 162.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD44335
Formula: C23H22O7
Smiles:
C=C(CO)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.42 | Num_heavy_atoms: | 30 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
