Glycoside
GD029202
Name:
Beta-GlucogallinFormula:
C13H16O10Smiles:
O=C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1Aglycone:
O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.26 | Num_heavy_atoms: | 23 |
| TPSA: | 177.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
