Glycoside
GD038148
Name:
2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acidFormula:
C13H16O8Smiles:
O=C(O)c1ccccc1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(O)c1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.26 | Num_heavy_atoms: | 21 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD03549
Formula: C7H6O3
Smiles:
O=C(O)c1ccccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
