Glycoside
GD149739
Name:
3,6,7,8,3',4'-Hexahydroxy-5'-Methoxyflavone 7-NeohesperidosideFormula:
C28H32O18Smiles:
COc1cc(-c2oc3c(O)c(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)c(O)cc3c(=O)c2O)cc(O)c1OAglycone:
COc1cc(-c2oc3c(O)c(O)c(O)cc3c(=O)c2O)cc(O)c1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.46 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 656.55 | Num_heavy_atoms: | 46 |
| TPSA: | 298.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD59860
Formula: C16H12O9
Smiles:
COc1cc(-c2oc3c(O)c(O)c(O)cc3c(=O)c2O)cc(O)c1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.06 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 348.26 | Num_heavy_atoms: | 25 |
| TPSA: | 160.82 | NumAromaticRings: | 3 |
