Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA13010039
Common Name1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-β-D-glucopyranose
Systematic Name1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-β-D-glucopyranose
Synonyms-
Exact Mass
360.1784 (neutral)    Calculate m/z:
FormulaC17H28O8
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID56936274
InChIKeyVSVRDZASVIUYEH-JSJDWEMMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H28O8/c1-3-17(2,23)9-7-5-4-6-8-12(19)25-16-15(22)14(21)13(20)11(10-1
8)24-16/h3-4,6,11,13-16,18,20-23H,1,5,7-10H2,2H3/b6-4-/t11?,13-,14?,15?,16+,17+/
m1/s1
SMILES[C@H]1(O)C(O)C(O)[C@H](OC(C/C=C\CCC[C@](O)(C)C=C)=O)OC1CO
StatusActive
ReferencesAstonishing diversity of natural surfactants:
1. Glycosides of fatty acids and alcohols
Valery M. Dembitsky, LIPIDS
Volume 39, Number 10, 933-953 (2004)
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
352.70Topological Polar
Surface Area
138.75Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
8
 logP1.39Molar
Refractivity
91.85