Structure Database (LMSD)

O O O O OH HO OH OH HO OH HO O
Common Name
6'-O-Linoleylsucrose
Systematic Name
Synonyms
LM ID
LMSL05000013
Formula
C30H52O12
Exact Mass
Calculate m/z
604.34588
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)
JMVJEEIMQLTXCI-MVIOKFNFSA-N
InChi (Click to copy)
InChI=1S/C30H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)39-19-22-25(35)28(38)30(20-32,41-22)42-29-27(37)26(36)24(34)21(18-31)40-29/h6-7,9-10,21-22,24-29,31-32,34-38H,2-5,8,11-20H2,1H3/b7-6-,10-9-/t21-,22-,24-,25-,26+,27-,28+,29-,30+/m1/s1
SMILES (Click to copy)
O1[C@H](COC(CCCCCCC/C=C\C/C=C\CCCCC)=O)[C@H]([C@@H]([C@]1(CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)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
72163548

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 2
Aromatic Rings
Rotatable Bonds 21
Van der Waals Molecular Volume 600.40
Topological Polar Surface Area 199.74
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 12
logP 4.40
Molar Refractivity 157.95

Admin

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