Glycoside
GD149672
Name:
Apigenin 7-Rutinoside-4'-Trans-CaffeateFormula:
C36H36O17Smiles:
CC1OC(OCC2OC(Oc3cc(O)c4c(=O)cc(-c5ccc(OC(=O)C=Cc6ccc(O)c(O)c6)cc5)oc4c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)Oc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 740.67 | Num_heavy_atoms: | 53 |
| TPSA: | 275.5 | NumAromaticRings: | 4 |
Unique Aglycone
AD59836
Formula: C24H16O8
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)Oc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.38 | Num_heavy_atoms: | 32 |
| TPSA: | 137.43 | NumAromaticRings: | 4 |
