Structure Database (LMSD)

Common Name
Litchioside C
Systematic Name
3-O-β-D-glucopyranosyl-3S,12-dihydroxy-cis-3,4-methylenedodecanoic acid
Synonyms
LM ID
LMFA13010152
Formula
C19H34O9
Exact Mass
Calculate m/z
406.220285
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
KZBDSSNNSZQJRW-VLWVFBAFSA-N
InChi (Click to copy)
InChI=1S/C19H34O9/c20-8-6-4-2-1-3-5-7-12-9-19(12,10-14(22)23)28-18-17(26)16(25)15(24)13(11-21)27-18/h12-13,15-18,20-21,24-26H,1-11H2,(H,22,23)/t12-,13+,15+,16-,17+,18-,19-/m0/s1
SMILES (Click to copy)
C(C[C@@]1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C[C@@H]1CCCCCCCCO)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Litchi chinensis (#151069)
Magnoliopsida (#3398)
A novel cyclopropyl-containing fatty acid glucoside from the seeds of Litchi chinensis.,
Fitoterapia, 2011
Pubmed ID: 21238546

Other Databases

PubChem CID
171120449

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 2
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 389.01
Topological Polar Surface Area 158.98
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 9
logP 2.05
Molar Refractivity 101.40

Admin

Created at
1st Sep 2020
Updated at
2nd Sep 2020