Structure Database (LMSD)
Common Name
Quercetin 7,3',4'-trimethyl ether 3-rhamnoside
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Quercetin 7,3',4'-trimethyl ether 3-rhamnoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
HCHYKZURXGCQDJ-LYEUIUKESA-N
InChi (Click to copy)
InChI=1S/C24H26O11/c1-10-18(26)20(28)21(29)24(33-10)35-23-19(27)17-13(25)8-12(30-2)9-16(17)34-22(23)11-5-6-14(31-3)15(7-11)32-4/h5-10,18,20-21,24-26,28-29H,1-4H3/t10-,18-,20+,21+,24-/m0/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C(OC)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
35
Rings
4
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
417.19
Topological Polar Surface Area
159.35
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
11
logP
3.73
Molar Refractivity
124.89
Admin
Created at
-
Updated at
21st Dec 2021