Glycoside
GD085876
Name:
[3,4,5-tris(acetyloxy)-6-[(cyanomethyl)sulfanyl]oxan-2-yl]methyl acetateFormula:
C16H21O9NSSmiles:
CC(=O)OC[C@@H]1O[C@H](SCC#N)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(SCC#N)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.69 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 403.41 | Num_heavy_atoms: | 27 |
| TPSA: | 138.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
