Structure database (LMSD)

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LM IDLMFA13030006
Common Name3-O-(α-L-rhamnopyranosyl-(1-2)-α-L-rhamnopyranosyl)-3-hydroxydecanoic acid
Systematic Name3-O-(α-L-rhamnopyranosyl-(1-2)-α-L-rhamnopyranosyl)-3-hydroxydecanoic acid
Synonyms-
Exact Mass
480.2571 (neutral)    Calculate m/z:
FormulaC22H40O11
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassRhamnolipids [FA1303]
PubChem CID56936290
InChIKeyWIDBTDJGTJINRP-JSBXXDNYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H40O11/c1-4-5-6-7-8-9-13(10-14(23)24)32-22-20(18(28)16(26)12(3)31-22
)33-21-19(29)17(27)15(25)11(2)30-21/h11-13,15-22,25-29H,4-10H2,1-3H3,(H,23,24)/t
11?,12?,13?,15-,16-,17?,18?,19-,20-,21?,22?/m0/s1
SMILES[C@H]1(OC2OC(C)[C@H](O)C(O)[C@@H]2O)C(O)[C@@H](O)C(C)OC1OC(CCCCCCC)CC(=O)O
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 Atoms33Rings2Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
458.49Topological Polar
Surface Area
179.51Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
11
 logP3.04Molar
Refractivity
119.71