Glycoside
GD118768
Name:
Kaempferol 7-Methyl Ether 3-Neohesperidoside-4'-GlucosideFormula:
C34H42O20Smiles:
COc1cc(O)c2c(=O)c(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)c(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -3.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 770.69 | Num_heavy_atoms: | 54 |
| TPSA: | 317.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD01882
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
