Glycoside
GD011391
Name:
Dalpanol O-GlucosideFormula:
C29H34O12Smiles:
COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@H]1CO2)C[C@H](C(C)(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)O4Aglycone:
COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)(C)O)O4Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 574.58 | Num_heavy_atoms: | 41 |
| TPSA: | 162.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD08713
Formula: C23H24O7
Smiles:
COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)(C)O)O4| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 412.44 | Num_heavy_atoms: | 30 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
