Structure database (LMSD)

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LM IDLMFA13010043
Common NameButyl 3-O-β-D-glucopyranosyl-butanoate
Systematic NameButyl 3-O-β-D-glucopyranosyl-butanoate
Synonyms-
Exact Mass
322.1628 (neutral)    Calculate m/z:
FormulaC14H26O8
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID56936277
InChIKeyYUPCLHHTUNDMAN-JZSHJRBHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H26O8/c1-3-4-5-20-10(16)6-8(2)21-14-13(19)12(18)11(17)9(7-15)22-14/h
8-9,11-15,17-19H,3-7H2,1-2H3/t8?,9?,11-,12?,13?,14-/m1/s1
SMILES[C@H]1(O)C(O)C(O)[C@H](OC(CC(=O)OCCCC)C)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 Atoms22Rings1Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
306.08Topological Polar
Surface Area
127.75Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
8
 logP1.21Molar
Refractivity
78.85