Glycoside
GD156591
Name:
benzyl 2-hydroxy-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]benzoateFormula:
C25H30O13Smiles:
O=C(OCc1ccccc1)c1ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc1OAglycone:
O=C(OCc1ccccc1)c1ccc(O)cc1OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 538.5 | Num_heavy_atoms: | 38 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD53708
Formula: C14H12O4
Smiles:
O=C(OCc1ccccc1)c1ccc(O)cc1O| 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 |
