Structure Database (LMSD)

Common Name
Cuscutic resinoside A
Systematic Name
(11S)-hydroxyhexadecanoic acid 11-O-α-L-(4-O-2R,3R-nilylrhamnopyranosyl)-(1->2)-O-α-L-rhamnopyranosyl-(1,2-lactone)
Synonyms
LM ID
LMSL05000008
Status
Active
Exact Mass
Calculate m/z
632.37718
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)
GITOCQGOURWXPL-QNGBORIKSA-N
InChi (Click to copy)
InChI=1S/C32H56O12/c1-7-16-32(6)17-14-12-10-8-9-11-13-15-22(34)41-28-27(43-30-25(37)24(36)23(35)20(4)39-30)26(21(5)40-31(28)44-32)42-29(38)18(2)19(3)33/h18-21,23-28,30-31,33,35-37H,7-17H2,1-6H3/t18-,19-,20?,21?,23+,24?,25?,26+,27?,28?,30+,31+,32+/m1/s1
SMILES (Click to copy)
C1(O)C(O)[C@@H](O)C(C)O[C@H]1OC1C2OC(CCCCCCCCC[C@@](CCC)(C)O[C@@H]2OC(C)[C@@H]1OC([C@H](C)[C@@H](C)O)=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
Cuscuta chinensis (#267557)
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 44
Rings 3
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 625.28
Topological Polar Surface Area 178.72
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 12
logP 6.32
Molar Refractivity 164.26

Admin

Created at
-
Updated at
-