Glycoside
GD119765
Name:
benzyl 2-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxybenzoateFormula:
C22H24O10Smiles:
CC(=O)OC1C(Oc2ccc(O)cc2C(=O)OCc2ccccc2)OC(CO)C(O)C1OAglycone:
O=C(OCc1ccccc1)c1cc(O)ccc1OSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 151.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD48042
Formula: C14H12O4
Smiles:
O=C(OCc1ccccc1)c1cc(O)ccc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
