Structure Database (LMSD)

Common Name
14-O-(alpha-D-glucopyranosyl)-7S,14S-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid
Systematic Name
14-O-(α-D-glucopyranosyl)-7S,14S-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid
Synonyms
LM ID
LMFA13010035
Status
Active
Exact Mass
Calculate m/z
522.282885
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)
HTGFZKQPJXUSTN-YOECXDKNSA-N
InChi (Click to copy)
InChI=1S/C28H42O9/c1-18(2)13-14-21(36-27-26(34)25(33)24(32)22(17-29)37-27)20(4)11-9-10-19(3)16-28(5,35)15-8-6-7-12-23(30)31/h6-13,16,21-22,24-27,29,32-35H,14-15,17H2,1-5H3,(H,30,31)/b8-6+,10-9+,12-7+,19-16+,20-11+/t21-,22+,24+,25-,26+,27-,28-/m0/s1
SMILES (Click to copy)
C(/C=C/C=C/C[C@](C)(O)/C=C(\C)/C=C/C=C(\C)/[C@@H](O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C/C=C(\C)/C)(=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
Arcyria cinerea (#137621)
Eumycetozoa (#142796)
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 37
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 541.23
Topological Polar Surface Area 158.98
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 9
logP 4.60
Molar Refractivity 144.57

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Created at
-
Updated at
27th May 2021