Structure Database (LMSD)

Common Name
3-O-(alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoyl-3-hydroxydecanoic acid
Systematic Name
3-O-(α-L-rhamnopyranosyl-(1-2)-α-L-rhamnopyranosyl)-3-hydroxydecanoyl-3-hydroxydecanoic acid
Synonyms
  • alpha-L-rhamnopyranosyl- alpha-L-rhamnopyranosyl-beta-hydroxydecanoyl-beta-hydroxydecanoic acid
LM ID
LMFA13030005
Status
Active
Exact Mass
Calculate m/z
650.387745
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)
FCBUKWWQSZQDDI-SESCQDRSSA-N
InChi (Click to copy)
InChI=1S/C32H58O13/c1-5-7-9-11-13-15-21(17-23(33)34)43-24(35)18-22(16-14-12-10-8-6-2)44-32-30(28(39)26(37)20(4)42-32)45-31-29(40)27(38)25(36)19(3)41-31/h19-22,25-32,36-40H,5-18H2,1-4H3,(H,33,34)/t19-,20-,21?,22?,25-,26-,27+,28+,29+,30+,31-,32-/m0/s1
SMILES (Click to copy)
O([C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@H](O)[C@@H](O)[C@H](C)O1)C(CCCCCCC)CC(=O)OC(CCCCCCC)CC(=O)O

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
Pseudomonas aeruginosa (#287)
Gammaproteobacteria (#1236)
Astonishing diversity of natural surfactants: 1. Glycosides of fatty acids and alcohols.,
Lipids, 2004
Pubmed ID: 15691016

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 45
Rings 2
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 646.43
Topological Polar Surface Area 205.81
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 13
logP 5.99
Molar Refractivity 168.10

Admin

Created at
-
Updated at
14th May 2021