Structure Database (LMSD)
Common Name
Luteolin 7-glucuronide-4'-rhamnoside
Systematic Name
Synonyms
3D model of Luteolin 7-glucuronide-4'-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)
PYKXXYKNFWZUIX-ZHFACJDASA-N
InChi (Click to copy)
InChI=1S/C27H28O16/c1-8-18(31)19(32)22(35)26(39-8)42-14-3-2-9(4-11(14)28)15-7-13(30)17-12(29)5-10(6-16(17)41-15)40-27-23(36)20(33)21(34)24(43-27)25(37)38/h2-8,18-24,26-29,31-36H,1H3,(H,37,38)/t8-,18-,19+,20-,21-,22+,23+,24-,26-,27+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)=CC2OC(C3C=C(O)C(O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)=CC=3)=CC(=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
43
Rings
5
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
498.04
Topological Polar Surface Area
270.41
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
16
logP
2.11
Molar Refractivity
144.41
Admin
Created at
-
Updated at
25th Nov 2021