Structure Database (LMSD)

Common Name
3-O-(alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranosyl) butyl 3R-hydroxybutanoate
Systematic Name
3-O-(α-L-arabinopyranosyl-(1->6)-β-D-glucopyranosyl) butyl 3R-hydroxybutanoate
Synonyms
LM ID
LMFA13010045
Formula
C19H34O12
Exact Mass
Calculate m/z
454.20503
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty acyl glycosides [FA13]
Fatty acyl glycosides of mono- and disaccharides [FA1301]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Physalis peruviana (#126903)
Magnoliopsida (#3398)
Astonishing diversity of natural surfactants: 1. Glycosides of fatty acids and alcohols.,
Lipids, 2004
Pubmed ID: 15691016

String Representations

InChiKey (Click to copy)
MLIAQAVEASULJH-UYQTUCCPSA-N
InChi (Click to copy)
InChI=1S/C19H34O12/c1-3-4-5-27-12(21)6-9(2)30-19-17(26)15(24)14(23)11(31-19)8-29-18-16(25)13(22)10(20)7-28-18/h9-11,13-20,22-26H,3-8H2,1-2H3/t9-,10+,11-,13+,14-,15+,16-,17-,18+,19-/m1/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]2[C@H](O)[C@@H](O)[C@@H](O)CO2)O1)[C@@H](CC(=O)OCCCC)C

Other Databases

PubChem CID
56936279

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 2
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 415.38
Topological Polar Surface Area 188.74
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 12
logP 1.11
Molar Refractivity 108.01

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Created at
-
Updated at
13th Sep 2021