Glycoside
GD154012
Name:
Apigenin 7-Glucoside-4'-Trans-CaffeateFormula:
C30H26O13Smiles:
O=C(C=Cc1ccc(O)c(O)c1)Oc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4O)cc3o2)cc1Aglycone:
O=C(C=Cc1ccc(O)c(O)c1)Oc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.2 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 594.53 | Num_heavy_atoms: | 43 |
| TPSA: | 216.58 | 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 |
