Glycoside
GD129792
Name:
(2-{[3-(benzoyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-hydroxybenzoateFormula:
C27H26O10Smiles:
O=C(OC1C(Oc2ccccc2COC(=O)c2ccccc2O)OC(CO)C(O)C1O)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C(OCc1ccccc1O)c1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 510.5 | Num_heavy_atoms: | 37 |
| TPSA: | 151.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD52228
Formula: C14H12O4
Smiles:
O=C(OCc1ccccc1O)c1ccccc1O| 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 |
