Glycoside
GD119408
Name:
7,4'-Dihydroxy-5-Methoxyflavanone 7-Neohesperidoside-4'-GlucosideFormula:
C34H44O19Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc2c1C(=O)CC(c1ccc(OC3OC(CO)C(O)C(O)C3O)cc1)O2Aglycone:
COc1cc(O)cc2c1C(=O)CC(c1ccc(O)cc1)O2Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 756.71 | Num_heavy_atoms: | 53 |
| TPSA: | 293.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD47834
Formula: C16H14O5
Smiles:
COc1cc(O)cc2c1C(=O)CC(c1ccc(O)cc1)O2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
