Glycoside
GD129530
Name:
Apigenin 7-Rhamnosyl-(1->6)-(4''-E-P-Methoxycinnamoylglucoside)Formula:
C37H38O16Smiles:
COc1ccc(C=CC(=O)OC2C(COC3OC(C)C(O)C(O)C3O)OC(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)C(O)C2O)cc1Aglycone:
COc1ccc(C=CC(=O)O)cc1.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 738.7 | Num_heavy_atoms: | 53 |
| TPSA: | 244.27 | NumAromaticRings: | 4 |
Unique Aglycone
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 |
AD02513
Formula: C10H10O3
Smiles:
COc1ccc(C=CC(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
