Glycoside
GD012490
Name:
Apigenin-7-O-[2''-O-(5'''-O-Feruloyl)-Beta-D-Apiofuranosyl]-Beta-D-Glucop+Formula:
C36H36O17Smiles:
COc1cc(C=CC(=O)OC[C@]2(O)CO[C@H](O[C@@H]3[C@H](Oc4cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc5c4)O[C@H](CO)[C@H](O)[C@H]3O)[C@H]2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 740.67 | Num_heavy_atoms: | 53 |
| TPSA: | 264.5 | NumAromaticRings: | 4 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
