Structure Database (LMSD)

Common Name
Licorice glycoside E
Systematic Name
Synonyms
LM ID
LMPK12140032
Status
Active
Exact Mass
Calculate m/z
693.205759
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)
GNJDLKNJCWOSBO-LKYFMKHGSA-N
InChi (Click to copy)
InChI=1S/C35H35NO14/c37-14-27-28(40)29(41)30(50-34-31(42)35(44,16-46-34)15-45-32(43)22-13-36-23-4-2-1-3-20(22)23)33(49-27)47-19-8-5-17(6-9-19)25-12-24(39)21-10-7-18(38)11-26(21)48-25/h1-11,13,25,27-31,33-34,36-38,40-42,44H,12,14-16H2/t25-,27?,28+,29-,30?,31+,33+,34-,35?/m0/s1
SMILES (Click to copy)

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 50
Rings 7
Aromatic Rings 4
Rotatable Bonds 10
Van der Waals Molecular Volume 586.32
Topological Polar Surface Area 232.90
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 14
logP 4.08
Molar Refractivity 174.90

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Created at
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Updated at
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