Structure Database (LMSD)

Common Name
6-O-Myristoylsucrose
Systematic Name
2-O-(6-O-tetradecanoyl)-α-D-glucopyranosyl)-β-D-fructofuranose
Synonyms
  • 6-myristatesucrose
LM ID
LMSL05000016
Formula
C26H48O12
Exact Mass
Calculate m/z
552.31458
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
DWBHZBUWFIKMNZ-ZHBLIPIOSA-N
InChi (Click to copy)
InChI=1S/C26H48O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(29)35-15-18-20(30)22(32)23(33)25(36-18)38-26(16-28)24(34)21(31)17(14-27)37-26/h17-18,20-25,27-28,30-34H,2-16H2,1H3/t17-,18-,20-,21-,22+,23-,24+,25-,26+/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(CCCCCCCCCCCCC)=O)O1)O)O)O)O)O

Other Databases

PubChem CID
57483242

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 2
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 536.48
Topological Polar Surface Area 199.74
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 12
logP 3.29
Molar Refractivity 139.67

Admin

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