Structure Database (LMSD)
Common Name
Kaempferol 3,5-dimethyl ether 7-glucoside
Systematic Name
Synonyms
3D model of Kaempferol 3,5-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)
YBZHWMALXMKJMU-BPAZWDACSA-N
InChi (Click to copy)
InChI=1S/C23H24O11/c1-30-13-7-12(32-23-20(29)19(28)17(26)15(9-24)34-23)8-14-16(13)18(27)22(31-2)21(33-14)10-3-5-11(25)6-4-10/h3-8,15,17,19-20,23-26,28-29H,9H2,1-2H3/t15-,17-,19+,20-,23-/m1/s1
SMILES (Click to copy)
C1C=C(O)C=CC=1C1=C(OC)C(=O)C2C(OC)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
4
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
399.89
Topological Polar Surface Area
170.35
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
11
logP
2.98
Molar Refractivity
120.24
Admin
Created at
-
Updated at
25th Nov 2021