Structure Database (LMSD)

Common Name
1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose
Systematic Name
1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-β-D-glucopyranose
Synonyms
LM ID
LMFA13010039
Formula
C17H28O8
Exact Mass
Calculate m/z
360.17842
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty acyl glycosides [FA13]
Fatty acyl glycosides of mono- and disaccharides [FA1301]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lantana (#87005)
Magnoliopsida (#3398)
Astonishing diversity of natural surfactants: 1. Glycosides of fatty acids and alcohols.,
Lipids, 2004
Pubmed ID: 15691016

String Representations

InChiKey (Click to copy)
VSVRDZASVIUYEH-KETPRWIJSA-N
InChi (Click to copy)
InChI=1S/C17H28O8/c1-3-17(2,23)9-7-5-4-6-8-12(19)25-16-15(22)14(21)13(20)11(10-18)24-16/h3-4,6,11,13-16,18,20-23H,1,5,7-10H2,2H3/b6-4-/t11-,13-,14+,15-,16+,17+/m1/s1
SMILES (Click to copy)
O=C(C/C=C\CCC[C@](O)(C)C=C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

Other Databases

PubChem CID
56936274

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 352.70
Topological Polar Surface Area 138.75
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 1.39
Molar Refractivity 91.85

Admin

Created at
-
Updated at
27th May 2021