Glycoside
GD011988
Name:
9-O-GLUCOSYL-BERBERINEFormula:
C25H26O9NSmiles:
COc1ccc2cc3[n+](cc2c1OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)CCc1cc2c(cc1-3)OCO2Aglycone:
COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 484.48 | Num_heavy_atoms: | 35 |
| TPSA: | 130.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD09072
Formula: C19H16O4N
Smiles:
COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 322.34 | Num_heavy_atoms: | 24 |
| TPSA: | 51.8 | NumAromaticRings: | 3 |
