Structure Database (LMSD)
Common Name
Pueraria glycoside 1
Systematic Name
Synonyms
3D model of Pueraria glycoside 1
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)
GARZMRVWLORUSR-VPRICQMDSA-N
InChi (Click to copy)
InChI=1S/C21H20O10/c22-6-14-17(27)18(28)19(29)21(31-14)15-12(24)4-2-9-16(26)10(7-30-20(9)15)8-1-3-11(23)13(25)5-8/h1-5,7,14,17-19,21-25,27-29H,6H2/t14-,17-,18+,19-,21+/m1/s1
SMILES (Click to copy)
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2OC=C(C3C=CC(O)=C(O)C=3)C(=O)C=2C=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
4
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
356.50
Topological Polar Surface Area
183.12
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
10
logP
2.42
Molar Refractivity
108.28
Admin
Created at
-
Updated at
19th Oct 2021