Glycoside
GD138783
Name:
Amentoflavone 7,4',4'''-Tri-O-GlucosideFormula:
C48H48O25Smiles:
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(OC3OC(CO)C(O)C(O)C3O)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)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 9 |
| HBD: | 15 | FractionCSP3: | 0.38 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 12 |
| MolWt: | 1024.89 | Num_heavy_atoms: | 73 |
| TPSA: | 419.25 | 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 |
