Glycoside
GD018559
Name:
3,4,5-trihydroxy-6-(2-hydroxybenzoyloxy)oxane-2-carboxylic acidFormula:
C13H14O9Smiles:
O=C(OC1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1OAglycone:
O=C(O)c1ccccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.25 | Num_heavy_atoms: | 22 |
| TPSA: | 153.75 | 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 |
