Structure Database (LMSD)
Common Name
6,8-Di-C-arabionopyranosylluteolin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 6,8-Di-C-arabionopyranosylluteolin
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)
ROOCIIPDYQXZNW-LTZKYNCBSA-N
InChi (Click to copy)
InChI=1S/C25H26O14/c26-8-2-1-7(3-9(8)27)13-4-10(28)14-19(33)15(24-21(35)17(31)11(29)5-37-24)20(34)16(23(14)39-13)25-22(36)18(32)12(30)6-38-25/h1-4,11-12,17-18,21-22,24-27,29-36H,5-6H2/t11-,12-,17-,18-,21+,22+,24-,25-/m0/s1
SMILES (Click to copy)
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@@H](O)CO2)C2OC(C3C=CC(O)=C(O)C=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@@H](O)CO1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
5
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
448.50
Topological Polar Surface Area
255.11
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
14
logP
1.78
Molar Refractivity
132.17
Admin
Created at
-
Updated at
7th Jan 2022