Glycoside
GD143959
Name:
7-O-Alpha-D-Glucopyranosyl-3,5-Dihydroxy-3'-(4''-Acetoxyl-3''-Methylbutyl)-6,4'-DimethoxyflavoneFormula:
C30H36O14Smiles:
COc1ccc(-c2oc3cc(OC4OC(CO)C(O)C(O)C4O)c(OC)c(O)c3c(=O)c2O)cc1CCC(C)COC(C)=OAglycone:
COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)cc1CCC(C)COC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 11 |
| MolWt: | 620.6 | Num_heavy_atoms: | 44 |
| TPSA: | 214.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD57881
Formula: C24H26O9
Smiles:
COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)cc1CCC(C)COC(C)=O| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 458.46 | Num_heavy_atoms: | 33 |
| TPSA: | 135.66 | NumAromaticRings: | 3 |
