Glycoside
GD032025
Name:
6'-De-O-AcetylcupacinosideFormula:
C38H60O13Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](C)O[C@H](O[C@H]2[C@H](OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@@H]1OC(C)=OAglycone:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOSugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)OC(CO)C(O)C2O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 18 |
| MolWt: | 724.89 | Num_heavy_atoms: | 51 |
| TPSA: | 176.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD18884
Formula: C20H34O
Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 6.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 290.49 | Num_heavy_atoms: | 21 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
