Structure Database (LMSD)

Common Name
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxyundecanoic acid
Systematic Name
2-O-(β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl) 2S,3R-dihydroxyundecanoic acid
Synonyms
LM ID
LMFA13010050
Status
Active
Exact Mass
Calculate m/z
542.25746
Formula


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
NKNRGTAHDBGTEI-DRYNRBKXSA-N
InChi (Click to copy)
InChI=1S/C23H42O14/c1-2-3-4-5-6-7-8-11(25)20(21(32)33)37-23-19(31)17(29)15(27)13(36-23)10-34-22-18(30)16(28)14(26)12(9-24)35-22/h11-20,22-31H,2-10H2,1H3,(H,32,33)/t11-,12-,13-,14+,15+,16+,17+,18-,19-,20+,22-,23+/m1/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2)O1)[C@@H]([C@H](O)CCCCCCCC)C(=O)O

References

Reference
Astonishing diversity of natural surfactants:
1. Glycosides of fatty acids and alcohols
Valery M. Dembitsky, LIPIDS
Volume 39, Number 10, 933-953 (2004)

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lichtheimia corymbifera (#42458)
Mucoromycetes (#2212703)
Astonishing diversity of natural surfactants: 1. Glycosides of fatty acids and alcohols.,
Lipids, 2004
Pubmed ID: 15691016

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 2
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 502.16
Topological Polar Surface Area 240.20
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 14
logP 1.20
Molar Refractivity 130.03

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Created at
-
Updated at
11th May 2021