Glycoside
GD116400
Name:
2-{[5-(benzoyloxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl benzoateFormula:
C26H30O13Smiles:
O=C(OC1C(CO)OC(OC2(CO)OC(CO)C(O)C2OC(=O)c2ccccc2)C(O)C1O)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 550.51 | Num_heavy_atoms: | 39 |
| TPSA: | 201.67 | 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 |
