Glycoside
GD023749
Name:
OENIN HYDROCHLORIDEFormula:
C23H25O12Smiles:
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OAglycone:
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 493.44 | Num_heavy_atoms: | 35 |
| TPSA: | 189.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD00680
Formula: C17H15O7
Smiles:
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 331.3 | Num_heavy_atoms: | 24 |
| TPSA: | 110.68 | NumAromaticRings: | 3 |
