Structure database (LMSD)

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LM IDLMFA13010049
Common Name2-O-(β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl) 2S,3R-
dihydroxytridecanoic acid
Systematic Name2-O-(β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl) 2S,3R-
dihydroxytridecanoic acid
Synonyms-
Exact Mass
570.2888 (neutral)    Calculate m/z:
FormulaC25H46O14
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID56936283
InChIKeyVQTFDTKIJODNDR-LTIQMLLLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H46O14/c1-2-3-4-5-6-7-8-9-10-13(27)22(23(34)35)39-25-21(33)19(31)17(
29)15(38-25)12-36-24-20(32)18(30)16(28)14(11-26)37-24/h13-22,24-33H,2-12H2,1H3,(
H,34,35)/t13-,14?,15?,16+,17+,18+,19+,20?,21?,22+,24-,25+/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)CCCCCCCCCC)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 Atoms39Rings2Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
536.76Topological Polar
Surface Area
240.20Hydrogen
Bond Donors
9Hydrogen
Bond Acceptors
14
 logP1.98Molar
Refractivity
139.27