Structure Database (LMSD)
Common Name
Tricin 7-glucoside
Systematic Name
Synonyms
3D model of Tricin 7-glucoside
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)
JGXFMIJHKASCIZ-LDBVRRDLSA-N
InChi (Click to copy)
InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(OC)C(O)=C(OC)C=3)=CC(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
35
Rings
4
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
408.68
Topological Polar Surface Area
190.58
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
12
logP
2.68
Molar Refractivity
121.91
Admin
Created at
-
Updated at
29th Nov 2021