Structure Database (LMSD)
Common Name
6-Hydroxykaempferol 3,6-dimethyl ether 7-glucoside
Systematic Name
Synonyms
3D model of 6-Hydroxykaempferol 3,6-dimethyl ether 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)
SIQVIGJQJNKSDU-RODNGKRTSA-N
InChi (Click to copy)
InChI=1S/C23H24O12/c1-31-21-12(34-23-19(30)18(29)15(26)13(8-24)35-23)7-11-14(16(21)27)17(28)22(32-2)20(33-11)9-3-5-10(25)6-4-9/h3-7,13,15,18-19,23-27,29-30H,8H2,1-2H3/t13-,15-,18+,19-,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=CC(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1OC
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
25th Nov 2021