Structure Database (LMSD)

Systematic Name
6-O-(3R,4-dihydroxy-2-methylene-butanoyl)-β-D-glucopyranose
Synonyms
LM ID
LMSL05000003
Formula
C11H18O9
Exact Mass
Calculate m/z
294.095085
Status
Active
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
Persoonia linearis (#488382)
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)
FMHJNIRDGYFPEC-MOQKELMUSA-N
InChi (Click to copy)
InChI=1S/C11H18O9/c1-4(5(13)2-12)10(17)19-3-6-7(14)8(15)9(16)11(18)20-6/h5-9,11-16,18H,1-3H2/t5-,6+,7+,8-,9+,11+/m0/s1
SMILES (Click to copy)
C(OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)O1)(C([C@@H](O)CO)=C)=O

Other Databases

PubChem CID
56940682

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 260.33
Topological Polar Surface Area 158.98
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 9
logP -1.47
Molar Refractivity 66.14

Admin

Created at
-
Updated at
26th Oct 2021