Structure Database (LMSD)

HO O O O OH HO OH OH HO OH O O
Common Name
6-O-Linolenylsucrose
Systematic Name
2-O-(6-O-(9Z,12Z,15Z-octadecatrienoyl)-α-D-glucopyranosyl)-β-D-fructofuranose
Synonyms
LM ID
LMSL05000018
Formula
C30H50O12
Exact Mass
Calculate m/z
602.33023
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Saccharolipids [SL]
Other acyl sugars [SL05]

String Representations

InChiKey (Click to copy)
FMTIXIOZUIIXCE-KIBFYRAHSA-N
InChi (Click to copy)
InChI=1S/C30H50O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)39-19-22-24(34)26(36)27(37)29(40-22)42-30(20-32)28(38)25(35)21(18-31)41-30/h3-4,6-7,9-10,21-22,24-29,31-32,34-38H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24-,25-,26+,27-,28+,29-,30+/m1/s1
SMILES (Click to copy)
O1[C@H](CO)[C@H]([C@@H]([C@]1(CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)O1)O)O)O)O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Astragalus membranaceus (#649199)
Magnoliopsida (#3398)
NF-κB inhibitory activity of sucrose fatty acid esters and related constituents from Astragalus membranaceus.,
J Agric Food Chem, 2013
Pubmed ID: 23815760

Other Databases

PubChem CID
67159408

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 2
Aromatic Rings
Rotatable Bonds 20
Van der Waals Molecular Volume 597.76
Topological Polar Surface Area 199.74
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 12
logP 4.18
Molar Refractivity 157.86

Admin

Created at
22nd Feb 2022
Updated at
22nd Feb 2022