Structure Database (LMSD)
Common Name
Luteolin 5-methyl ether 7-xylosyl-(1->6)-glucoside
Systematic Name
Synonyms
3D model of Luteolin 5-methyl ether 7-xylosyl-(1->6)-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)
USAYZSRSHJHFGH-MUCJXJSVSA-N
InChi (Click to copy)
InChI=1S/C27H30O15/c1-37-17-5-11(6-18-20(17)14(30)7-16(41-18)10-2-3-12(28)13(29)4-10)40-27-25(36)23(34)22(33)19(42-27)9-39-26-24(35)21(32)15(31)8-38-26/h2-7,15,19,21-29,31-36H,8-9H2,1H3/t15-,19-,21+,22-,23+,24-,25-,26+,27-/m1/s1
SMILES (Click to copy)
C1C=C(O)C(O)=CC=1C1=CC(=O)C2C(OC)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)O3)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
5
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
491.89
Topological Polar Surface Area
242.34
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
15
logP
2.57
Molar Refractivity
144.52
Admin
Created at
-
Updated at
4th Jan 2022