Glycoside
GD131885
Name:
2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acidFormula:
C13H16O9Smiles:
O=C(O)c1cccc(OC2OC(CO)C(O)C(O)C2O)c1OAglycone:
O=C(O)c1cccc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.26 | Num_heavy_atoms: | 22 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD06796
Formula: C7H6O4
Smiles:
O=C(O)c1cccc(O)c1O| 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 |
