Structure database (LMSD)

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LM IDLMFA13010047
Common Name2-O-(β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl) 2S-hydroxyundecanoic
acid
Systematic Name2-O-(β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl) 2S-hydroxyundecanoic
acid
Synonyms-
Exact Mass
526.2625 (neutral)    Calculate m/z:
FormulaC23H42O13
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID56936281
InChIKeyLMSCLROPNINDDT-QMWBOEPYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H42O13/c1-2-3-4-5-6-7-8-9-12(21(31)32)34-23-20(30)18(28)16(26)14(36-
23)11-33-22-19(29)17(27)15(25)13(10-24)35-22/h12-20,22-30H,2-11H2,1H3,(H,31,32)/
t12-,13?,14?,15-,16-,17-,18-,19?,20?,22+,23+/m0/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](CCCCCCCCC)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 Atoms36Rings2Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
493.37Topological Polar
Surface Area
219.97Hydrogen
Bond Donors
8Hydrogen
Bond Acceptors
13
 logP1.94Molar
Refractivity
128.13