Structure database (LMSD)

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LM IDLMFA13010036
Common Name2,6-Dimethyl-6-O-β-D-quinovopyranosyl-7-octadecenoic acid
Systematic Name2,6-Dimethyl-6-O-β-D-quinovopyranosyl-7-octadecenoic acid
Synonyms-
Exact Mass
332.1835 (neutral)    Calculate m/z:
FormulaC16H28O7
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID56936272
InChIKeyRMLMMXWVQHEIFK-KIGAJESOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H28O7/c1-5-16(4,8-6-7-9(2)14(20)21)23-15-13(19)12(18)11(17)10(3)22-1
5/h5,9-13,15,17-19H,1,6-8H2,2-4H3,(H,20,21)/t9?,10?,11-,12?,13?,15+,16?/m1/s1
SMILES[C@H]1(O)C(O)C(O)[C@H](OC(CCCC(C)C(O)=O)(C=C)C)OC1C
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 Atoms23Rings1Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
329.25Topological Polar
Surface Area
118.52Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
7
 logP2.38Molar
Refractivity
85.77