Glycoside
GD123670
Name:
1,2,4-tris(acetyloxy)-6,6-bis(ethylsulfanyl)hexan-3-yl acetateFormula:
C18H30O8S2Smiles:
CCSC(CC(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)SCCAglycone:
CCSC(C)SCCSugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.78 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 13 |
| MolWt: | 438.56 | Num_heavy_atoms: | 28 |
| TPSA: | 105.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD25387
Formula: C6H14S2
Smiles:
CCSC(C)SCC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 150.31 | Num_heavy_atoms: | 8 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
