Structure Database (LMSD)

Common Name
6'-O-Linoleylsucrose
Systematic Name
Synonyms
LM ID
LMSL05000013
Status
Active
Exact Mass
Calculate m/z
604.34588
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)
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

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

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