Glycoside
GD146455
Name:
3-(2H-1,3-benzodioxol-5-yl)-7-{[6,6'-bis(hydroxymethyl)-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl]oxy}-5-hydroxy-4H-chromen-4-oneFormula:
C28H30O16Smiles:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(OC3(C4OC(CO)C(O)C(O)C4O)OC(CO)C(O)C(O)C3O)cc(O)c12Aglycone:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(C2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 622.53 | Num_heavy_atoms: | 44 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD14543
Formula: C16H10O6
Smiles:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.25 | Num_heavy_atoms: | 22 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
