Structure Database (LMSD)

Common Name
6-O-Palmitoylsucrose
Systematic Name
2-O-(6-O-hexadecanoyl)-α-D-glucopyranosyl)-β-D-fructofuranose
Synonyms
  • 6-palmitatesucrose
LM ID
LMSL05000015
Formula
C28H52O12
Exact Mass
Calculate m/z
580.34588
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)
XYFGTTCGHCGTDZ-ZRVLSRDKSA-N
InChi (Click to copy)
InChI=1S/C28H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(31)37-17-20-22(32)24(34)25(35)27(38-20)40-28(18-30)26(36)23(33)19(16-29)39-28/h19-20,22-27,29-30,32-36H,2-18H2,1H3/t19-,20-,22-,23-,24+,25-,26+,27-,28+/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(CCCCCCCCCCCCCCC)=O)O1)O)O)O)O)O

Other Databases

PubChem CID
11238581

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 2
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 571.08
Topological Polar Surface Area 199.74
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 12
logP 4.07
Molar Refractivity 148.90

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