Glycoside
GD135022
Name:
1-(2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)ethan-1-oneFormula:
C19H26O11Smiles:
CC(=O)c1ccccc1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
CC(=O)c1ccccc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.41 | Num_heavy_atoms: | 30 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD25263
Formula: C8H8O2
Smiles:
CC(=O)c1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
