Glycoside
GD120060
Name:
(4-methyl-2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0â´,¹¹]undeca-1(10),5-dien-6-yl)methyl acetateFormula:
C19H24O11Smiles:
CC(=O)OCC1=CC2(C)OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C1C32Aglycone:
CC(=O)OCC1=CC2(C)OC(=O)C3=COC(O)C1C32Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.39 | Num_heavy_atoms: | 30 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD48184
Formula: C13H14O6
Smiles:
CC(=O)OCC1=CC2(C)OC(=O)C3=COC(O)C1C32| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.54 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.25 | Num_heavy_atoms: | 19 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
