Glycoside
GD027811
Name:
2-hydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]benzoic acidFormula:
C12H14O8Smiles:
O=C(O)c1cc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
O=C(O)c1cc(O)ccc1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.24 | Num_heavy_atoms: | 20 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD05966
Formula: C7H6O4
Smiles:
O=C(O)c1cc(O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
