LIPID MAPS

Structure Database (LMSD)

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Common Name

6'-O-Palmitoylsucrose

Systematic Name

Synonyms

LM ID

LMSL05000014

Formula

C₂₈H₅₂O₁₂

Exact Mass

Calculate m/z

580.34588

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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)

DZPKXFNXNJJENH-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)37-17-20-23(33)26(36)28(18-30,39-20)40-27-25(35)24(34)22(32)19(16-29)38-27/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](COC(CCCCCCCCCCCCCCC)=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

Other Databases

PubChem CID

21585961

Calculated Physicochemical Properties

Heavy Atoms 40

Rings 2

Aromatic Rings

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

Admin

Created at

22nd Feb 2022

Updated at