Structure database (LMSD)

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LM IDLMFA13010045
Common Name3-O-(α-L-arabinopyranosyl-(1->6)-β-D-glucopyranosyl) butyl 3R-hydroxybutanoate
Systematic Name3-O-(α-L-arabinopyranosyl-(1->6)-β-D-glucopyranosyl) butyl 3R-hydroxybutanoate
Synonyms-
Exact Mass
454.2050 (neutral)    Calculate m/z:
FormulaC19H34O12
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID56936279
InChIKeyMLIAQAVEASULJH-OUFVPBLDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H34O12/c1-3-4-5-27-12(21)6-9(2)30-19-17(26)15(24)14(23)11(31-19)8-29
-18-16(25)13(22)10(20)7-28-18/h9-11,13-20,22-26H,3-8H2,1-2H3/t9-,10+,11?,13+,14-
,15+,16?,17?,18+,19-/m1/s1
SMILES[C@H]1(O)CO[C@@H](OCC2[C@@H](O)[C@H](O)C(O)[C@H](O[C@@H](CC(=O)OCCCC)C)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 Atoms31Rings2Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
415.38Topological Polar
Surface Area
188.74Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
12
 logP1.11Molar
Refractivity
108.01