Structure Database (LMSD)

Common Name
Liquiritigenin 7-glucoside-4'-apiosyl-(1->2)-glucoside
Systematic Name
7,4'-Dihydroxyflavanone 7-glucoside-4'-apiosyl-(1->2)-glucoside
Synonyms
LM ID
LMPK12140027
Status
Active
Exact Mass
Calculate m/z
712.22147
Formula


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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

String Representations

InChiKey (Click to copy)
JUYBMOHJXUXKDN-OGRMCSAWSA-N
InChi (Click to copy)
InChI=1S/C32H40O18/c33-9-20-22(37)24(39)26(41)29(48-20)46-15-5-6-16-17(36)8-18(47-19(16)7-15)13-1-3-14(4-2-13)45-30-27(25(40)23(38)21(10-34)49-30)50-31-28(42)32(43,11-35)12-44-31/h1-7,18,20-31,33-35,37-43H,8-12H2/t18-,20?,21?,22+,23+,24-,25-,26?,27?,28+,29+,30+,31-,32?/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 6
Aromatic Rings 2
Rotatable Bonds 10
Van der Waals Molecular Volume 605.94
Topological Polar Surface Area 292.26
Hydrogen Bond Donors 10
Hydrogen Bond Acceptors 18
logP 1.08
Molar Refractivity 169.26

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Updated at
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