Glycoside
GD082648
Name:
(6-oxo-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9-oxatricyclo[5.3.1.0â´,¹¹]undeca-2,7-dien-2-yl)methyl acetateFormula:
C19H24O10Smiles:
CC(=O)OCC1=C[C@@H]2CC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@@H]32Aglycone:
CC(=O)OCC1=CC2CC(=O)C3=COC(O)C1C32Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.39 | Num_heavy_atoms: | 29 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD37091
Formula: C13H14O5
Smiles:
CC(=O)OCC1=CC2CC(=O)C3=COC(O)C1C32| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.54 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 250.25 | Num_heavy_atoms: | 18 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
