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
Status
Active
Exact Mass
Calculate m/z
454.20503
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)
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

References

Reference
Astonishing diversity of natural surfactants:
1. Glycosides of fatty acids and alcohols
Valery M. Dembitsky, LIPIDS
Volume 39, Number 10, 933-953 (2004)

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

Other Databases

PubChem CID

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