Glycoside
GD152826
Name:
5-(2-{[4,5-bis(acetyloxy)-3-hydroxyoxan-2-yl]oxy}-2,5,5,8a-tetramethyl-decahydronaphthalen-1-yl)-3-methylpent-2-en-1-yl acetateFormula:
C31H50O9Smiles:
CC(=O)OCC=C(C)CCC1C(C)(OC2OCC(OC(C)=O)C(OC(C)=O)C2O)CCC2C(C)(C)CCCC21CAglycone:
CC(=O)OCC=C(C)CCC1C(C)(O)CCC2C(C)(C)CCCC21CSugarmoiety:
CC(=O)OC1COC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 566.73 | Num_heavy_atoms: | 40 |
| TPSA: | 117.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD46502
Formula: C22H38O3
Smiles:
CC(=O)OCC=C(C)CCC1C(C)(O)CCC2C(C)(C)CCCC21C| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 350.54 | Num_heavy_atoms: | 25 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
