Glycoside
GD134469
Name:
benzyl 3,6-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C22H26O10Smiles:
COc1ccc(OC)c(C(=O)OCc2ccccc2)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1ccc(OC)c(C(=O)OCc2ccccc2)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 144.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD54396
Formula: C16H16O5
Smiles:
COc1ccc(OC)c(C(=O)OCc2ccccc2)c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 64.99 | NumAromaticRings: | 2 |
