Glycoside
GD120869
Name:
3-{[5-(benzoyloxy)-3,4-dihydroxyoxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl benzoateFormula:
C25H28O12Smiles:
O=C(OC1COC(OC2C(OC(=O)c3ccccc3)OC(CO)C(O)C2O)C(O)C1O)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.49 | Num_heavy_atoms: | 37 |
| TPSA: | 181.44 | NumAromaticRings: | 2 |
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 |
