Structure Database (LMSD)

Common Name
Tuliposide B
Systematic Name
1-O-(3R,4-dihydroxy-2-methylene-butanoyl)-β-D-glucopyranose
Synonyms
LM ID
LMFA13010038
Formula
Exact Mass
Calculate m/z
294.095085
Status
Curated

Classification

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)
DOI: 10.1007/s11745-004-1316-1
PMID: 15691016

String Representations

InChiKey (Click to copy)
KVRQQFBSAHPTAB-WKWISIMFSA-N
InChi (Click to copy)
InChI=1S/C11H18O9/c1-4(5(14)2-12)10(18)20-11-9(17)8(16)7(15)6(3-13)19-11/h5-9,11-17H,1-3H2/t5-,6+,7+,8-,9+,11-/m0/s1
SMILES (Click to copy)
C(C([C@@H](O)CO)=C)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

Other Databases

PubChem CID

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

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Created at
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Updated at
12th May 2020