Glycoside
GD150590
Name:
7-{[2,2'-bioxane]-3,3',4,4',5,5'-hexyloxy}-2-(3,4-dihydroxyphenyl)-5-methoxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C26H30O14Smiles:
COc1cc(OC2(C3OCC(O)C(O)C3O)OCC(O)C(O)C2O)cc2c1C(=O)CC(c1ccc(O)c(O)c1)O2Aglycone:
COc1cc(O)cc2c1C(=O)CC(c1ccc(O)c(O)c1)O2Sugarmoiety:
OC1COC(C2(O)OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 566.51 | Num_heavy_atoms: | 40 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD46955
Formula: C16H14O6
Smiles:
COc1cc(O)cc2c1C(=O)CC(c1ccc(O)c(O)c1)O2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
