Glycoside
GD125036
Name:
5-Hydroxy-7,3',4'-Trimethoxy-8-Methylisoflavone 5-O-NeohesperidosideFormula:
C31H38O15Smiles:
COc1ccc(-c2coc3c(C)c(OC)cc(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)c3c2=O)cc1OCAglycone:
COc1ccc(-c2coc3c(C)c(OC)cc(O)c3c2=O)cc1OCSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 650.63 | Num_heavy_atoms: | 46 |
| TPSA: | 216.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD50560
Formula: C19H18O6
Smiles:
COc1ccc(-c2coc3c(C)c(OC)cc(O)c3c2=O)cc1OC| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.35 | Num_heavy_atoms: | 25 |
| TPSA: | 78.13 | NumAromaticRings: | 3 |
