Glycoside
GD140225
Name:
Amentoflavone 4',4'''-Di-O-GlucosideFormula:
C42H38O20Smiles:
O=c1cc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(OC6OC(CO)C(O)C(O)C6O)cc5)oc34)c2)oc2cc(O)cc(O)c12Aglycone:
O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.29 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 862.75 | Num_heavy_atoms: | 62 |
| TPSA: | 340.1 | NumAromaticRings: | 6 |
Unique Aglycone
AD48702
Formula: C30H18O10
Smiles:
O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 5.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 538.46 | Num_heavy_atoms: | 40 |
| TPSA: | 181.8 | NumAromaticRings: | 6 |
