Glycoside
GD146299
Name:
Senburiside IvFormula:
C36H42O19Smiles:
CC1C(OC(=O)c2cccc(OC(=O)c3cccc(OC4OC(CO)C(O)C(O)C4O)c3)c2)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1C(OC(=O)c2cccc(OC(=O)c3cccc(O)c3)c2)CC2C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 11 |
| MolWt: | 778.71 | Num_heavy_atoms: | 55 |
| TPSA: | 297.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD53365
Formula: C24H22O9
Smiles:
CC1C(OC(=O)c2cccc(OC(=O)c3cccc(O)c3)c2)CC2C(C(=O)O)=COC(O)C21| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.43 | Num_heavy_atoms: | 33 |
| TPSA: | 139.59 | NumAromaticRings: | 2 |
