Structure database (LMSD)

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LM IDLMFA13010048
Common Name2-O-(β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl) 2S-hydroxytridecanoic
acid
Systematic Name2-O-(β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl) 2S-hydroxytridecanoic
acid
Synonyms-
Exact Mass
554.2938 (neutral)    Calculate m/z:
FormulaC25H46O13
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID56936282
InChIKeyMBOSFCFYOLTTNJ-QHEQQTTKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H46O13/c1-2-3-4-5-6-7-8-9-10-11-14(23(33)34)36-25-22(32)20(30)18(28)
16(38-25)13-35-24-21(31)19(29)17(27)15(12-26)37-24/h14-22,24-32H,2-13H2,1H3,(H,3
3,34)/t14-,15?,16?,17-,18-,19-,20-,21?,22?,24+,25+/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](CCCCCCCCCCC)C(=O)O)O
2)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 Atoms38Rings2Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
527.97Topological Polar
Surface Area
219.97Hydrogen
Bond Donors
8Hydrogen
Bond Acceptors
13
 logP2.72Molar
Refractivity
137.37