Glycoside
GD135122
Name:
5-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-2-hydroxybenzoic acidFormula:
C17H22O12Smiles:
O=C(O)c1cc(OC2OCC(O)C(O)C2OC2OCC(O)(CO)C2O)ccc1OAglycone:
O=C(O)c1cc(O)ccc1OSugarmoiety:
OCC1(O)COC(OC2C(O)OCC(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -2.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.35 | Num_heavy_atoms: | 29 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD05966
Formula: C7H6O4
Smiles:
O=C(O)c1cc(O)ccc1O| 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 |
