Structure Database (LMSD)
Common Name
Luteolin 7,4'-dimethyl ether 5-xylosyl-(1->6)-glucoside
Systematic Name
Synonyms
3D model of Luteolin 7,4'-dimethyl ether 5-xylosyl-(1->6)-glucoside
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)
QPXXNLYWPXJSCA-SKDQMWHQSA-N
InChi (Click to copy)
InChI=1S/C28H32O15/c1-37-12-6-18-21(14(30)8-17(41-18)11-3-4-16(38-2)13(29)5-11)19(7-12)42-28-26(36)24(34)23(33)20(43-28)10-40-27-25(35)22(32)15(31)9-39-27/h3-8,15,20,22-29,31-36H,9-10H2,1-2H3/t15-,20-,22+,23-,24+,25-,26-,27+,28-/m1/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(O)C(OC)=CC=3)=CC(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)O2)=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
8
Van der Waals Molecular Volume
509.19
Topological Polar Surface Area
231.34
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
15
logP
2.87
Molar Refractivity
149.41
Admin
Created at
-
Updated at
4th Jan 2022