Glycoside
GD121298
Name:
Capsianoside ViiiFormula:
C50H84O25Smiles:
C=CC(C)(CCC=C(C)CCC=C(C)CCC=C(C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)COSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 5 |
| HBD: | 15 | FractionCSP3: | 0.84 |
| AlogP: | -3.73 | Num_rotatable_bonds: | 24 |
| MolWt: | 1085.2 | Num_heavy_atoms: | 75 |
| TPSA: | 395.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD03073
Formula: C20H34O2
Smiles:
C=CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 306.49 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
Sugarmoiety
SD05793
CC1OC(OCC2OC(O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O