Glycoside
GD006378
Name:
9-O-ERYTHROL-BERBERINEFormula:
C23H24O7NSmiles:
COc1ccc2cc3[n+](cc2c1OC[C@H](O)[C@H](O)CO)CCc1cc2c(cc1-3)OCO2Aglycone:
COc1ccc2cc3[n+](cc2c1)CCc1cc2c(cc1-3)OCO2Sugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 426.45 | Num_heavy_atoms: | 31 |
| TPSA: | 101.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD05285
Formula: C19H16O3N
Smiles:
COc1ccc2cc3[n+](cc2c1)CCc1cc2c(cc1-3)OCO2| HBA: | 4 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 306.34 | Num_heavy_atoms: | 23 |
| TPSA: | 31.57 | NumAromaticRings: | 3 |
