Glycoside
GD127406
Name:
[2-oxo-8-(2-oxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-3,9-dioxatricyclo[5.3.1.0â´,¹¹]undeca-1(10),5-dien-6-yl]methyl acetateFormula:
C20H24O12Smiles:
CC(=O)OCC1=CC2OC(=O)C3=COC(CC(=O)OC4OC(CO)C(O)C(O)C4O)C1C32Aglycone:
CC(=O)OCC1=CC2OC(=O)C3=COC(CC(=O)O)C1C32Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.4 | Num_heavy_atoms: | 32 |
| TPSA: | 178.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD51593
Formula: C14H14O7
Smiles:
CC(=O)OCC1=CC2OC(=O)C3=COC(CC(=O)O)C1C32| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 294.26 | Num_heavy_atoms: | 21 |
| TPSA: | 99.13 | NumAromaticRings: | 0 |
