Structure Database (LMSD)

Common Name
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxynonanoic acid
Systematic Name
2-O-(β-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl) 2S,3R-dihydroxynonanoic acid
Synonyms
LM ID
LMFA13010051
Status
Active
Exact Mass
Calculate m/z
514.22616
Formula


Download as...
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)
WPSTUWWBZDHAAE-IFBHHZPISA-N
InChi (Click to copy)
InChI=1S/C21H38O14/c1-2-3-4-5-6-9(23)18(19(30)31)35-21-17(29)15(27)13(25)11(34-21)8-32-20-16(28)14(26)12(24)10(7-22)33-20/h9-18,20-29H,2-8H2,1H3,(H,30,31)/t9-,10-,11-,12+,13+,14+,15+,16-,17-,18+,20-,21+/m1/s1
SMILES (Click to copy)
O[C@@H]1[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)O[C@H]1O[C@H](C(=O)O)[C@H](O)CCCCCC

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 35
Rings 2
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 467.56
Topological Polar Surface Area 240.20
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 14
logP 0.42
Molar Refractivity 120.80

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Created at
-
Updated at
11th May 2021