Structure Database (LMSD)
Systematic Name
5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 4'-glucoside
Synonyms
3D model of
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)
ZSAJLBLZRADOLX-KAIXSANWSA-N
InChi (Click to copy)
InChI=1S/C24H26O13/c1-32-13-6-9(4-5-11(13)36-24-19(30)18(29)16(27)14(8-25)37-24)12-7-10(26)15-17(28)22(33-2)20(31)23(34-3)21(15)35-12/h4-7,14,16,18-19,24-25,27-31H,8H2,1-3H3/t14-,16-,18+,19-,24-/m1/s1
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=C(OC)C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=CC(=O)C=2C(O)=C1OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
37
Rings
4
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
434.77
Topological Polar Surface Area
199.81
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
13
logP
2.69
Molar Refractivity
128.46
Admin
Created at
-
Updated at
23rd Dec 2021