Glycoside
GD151583
Name:
2,6-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acidFormula:
C13H16O10Smiles:
O=C(O)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)cc1OAglycone:
O=C(O)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.26 | Num_heavy_atoms: | 23 |
| TPSA: | 177.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD46596
Formula: C7H6O5
Smiles:
O=C(O)c1c(O)cc(O)cc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
