Structure database (LMSD)

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LM IDLMFA13010051
Common Name2-O-(β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl) 2S,3R-
dihydroxynonanoic acid
Systematic Name2-O-(β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl) 2S,3R-
dihydroxynonanoic acid
Synonyms-
Exact Mass
514.2262 (neutral)    Calculate m/z:
FormulaC21H38O14
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID56936285
InChIKeyWPSTUWWBZDHAAE-BRFXFVLPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H38O14/c1-2-3-4-5-6-9(23)18(19(30)31)35-21-17(29)15(27)13(25)11(34-2
1)8-32-20-16(28)14(26)12(24)10(7-22)33-20/h9-18,20-29H,2-8H2,1H3,(H,30,31)/t9-,1
0?,11?,12+,13+,14+,15+,16?,17?,18+,20-,21+/m1/s1
SMILES[C@H]1(O)C(CO)O[C@@H](OCC2[C@H](O)[C@H](O)C(O)[C@H](O[C@@H]([C@H](O)CCCCCC)C(=O)
O)O2)C(O)[C@H]1O
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 Atoms35Rings2Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
467.56Topological Polar
Surface Area
240.20Hydrogen
Bond Donors
9Hydrogen
Bond Acceptors
14
 logP0.42Molar
Refractivity
120.80