Structure Database (LMSD)

Common Name
Licorice glycoside D1
Systematic Name
(2R)-7,4'-Dihydroxyflavanone 4'-[4-p-coumaroylapiosyl-(1->2)-glucoside]
Synonyms
LM ID
LMPK12140028
Status
Active
Exact Mass
Calculate m/z
696.205425
Formula
C35H36O15
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
KDXWZGOCBQGWEB-ISCAJFQMSA-N
InChi (Click to copy)
InChI=1S/C35H36O15/c36-15-27-29(41)30(42)31(50-34-32(43)35(44,17-46-34)16-45-28(40)12-3-18-1-6-20(37)7-2-18)33(49-27)47-22-9-4-19(5-10-22)25-14-24(39)23-11-8-21(38)13-26(23)48-25/h1-13,25,27,29-34,36-38,41-44H,14-17H2/b12-3+/t25-,27?,29-,30+,31?,32-,33-,34+,35?/m1/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
FL2F1AGS0008
PubChem CID
101938906

Calculated Physicochemical Properties

Heavy Atoms 50
Rings 6
Aromatic Rings 3
Rotatable Bonds 11
Van der Waals Molecular Volume 607.37
Topological Polar Surface Area 237.34
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 15
logP 3.86
Molar Refractivity 174.49

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Updated at
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