Structure Database (LMSD)
Common Name
Licorice glycoside D1
Systematic Name
(2R)-7,4'-Dihydroxyflavanone 4'-[4-p-coumaroylapiosyl-(1->2)-glucoside]
Synonyms
3D model of Licorice glycoside D1
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
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)
Other Databases
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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