Glycoside
GD119443
Name:
2-(4-{[2,2'-bioxane]-3,3',4,4',5,5'-hexyloxy}phenyl)-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H32O13Smiles:
COc1cc(OC)c2c(c1)OC(c1ccc(OC3(C4OCC(O)C(O)C4O)OCC(O)C(O)C3O)cc1)CC2=OAglycone:
COc1cc(OC)c2c(c1)OC(c1ccc(O)cc1)CC2=OSugarmoiety:
OC1COC(C2(O)OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 564.54 | Num_heavy_atoms: | 40 |
| TPSA: | 193.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD47852
Formula: C17H16O5
Smiles:
COc1cc(OC)c2c(c1)OC(c1ccc(O)cc1)CC2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.31 | Num_heavy_atoms: | 22 |
| TPSA: | 64.99 | NumAromaticRings: | 2 |
