Structure database (LMSD)

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LM IDLMFA13010050
Common Name2-O-(β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl) 2S,3R-
dihydroxyundecanoic acid
Systematic Name2-O-(β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl) 2S,3R-
dihydroxyundecanoic acid
Synonyms-
Exact Mass
542.2575 (neutral)    Calculate m/z:
FormulaC23H42O14
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID56936284
InChIKeyNKNRGTAHDBGTEI-DJBLQEKISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H42O14/c1-2-3-4-5-6-7-8-11(25)20(21(32)33)37-23-19(31)17(29)15(27)13
(36-23)10-34-22-18(30)16(28)14(26)12(9-24)35-22/h11-20,22-31H,2-10H2,1H3,(H,32,3
3)/t11-,12?,13?,14+,15+,16+,17+,18?,19?,20+,22-,23+/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)CCCCCCCC)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 Atoms37Rings2Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
502.16Topological Polar
Surface Area
240.20Hydrogen
Bond Donors
9Hydrogen
Bond Acceptors
14
 logP1.20Molar
Refractivity
130.03