Glycoside
GD117853
Name:
{2-oxo-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,9-dioxatricyclo[5.3.1.0â´,¹¹]undeca-1(10),5-dien-6-yl}methyl acetateFormula:
C17H20O10Smiles:
CC(=O)OCC1=CC2OC(=O)C3=COC(OC4OCC(O)C(O)C4O)C1C32Aglycone:
CC(=O)OCC1=CC2OC(=O)C3=COC(O)C1C32Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 384.34 | Num_heavy_atoms: | 27 |
| TPSA: | 140.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD11806
Formula: C12H12O6
Smiles:
CC(=O)OCC1=CC2OC(=O)C3=COC(O)C1C32| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 252.22 | Num_heavy_atoms: | 18 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
