Structure Database (LMSD)
Common Name
Pueraria glycoside 3
Systematic Name
Synonyms
3D model of Pueraria glycoside 3
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)
HQQUZVFMUSCUJS-PGPONNFDSA-N
InChi (Click to copy)
InChI=1S/C22H22O10/c1-30-14-6-9(2-4-12(14)24)11-8-31-21-10(17(11)26)3-5-13(25)16(21)22-20(29)19(28)18(27)15(7-23)32-22/h2-6,8,15,18-20,22-25,27-29H,7H2,1H3/t15-,18-,19+,20-,22+/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(OC)C=3)C(=O)C=2C=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
4
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
373.80
Topological Polar Surface Area
172.12
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
10
logP
2.72
Molar Refractivity
113.17
Admin
Created at
-
Updated at
19th Oct 2021