Glycoside
GD147670
Name:
3,4,5-trihydroxy-6-(4-hydroxybenzoyloxy)oxane-2-carboxylic acidFormula:
C13H14O9Smiles:
O=C(OC1OC(C(=O)O)C(O)C(O)C1O)c1ccc(O)cc1Aglycone:
O=C(O)c1ccc(O)cc1Sugarmoiety:
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
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1| 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 |
