Structure Database (LMSD)
Common Name
Luteolin 3'-methyl ether 7-arabinosyl-(1->2)-galactoside
Systematic Name
Synonyms
3D model of Luteolin 3'-methyl ether 7-arabinosyl-(1->2)-galactoside
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)
JNWRIRHNPHQZIC-QEDMMBCRSA-N
InChi (Click to copy)
InChI=1S/C27H30O15/c1-37-17-4-10(2-3-12(17)29)16-7-14(31)20-13(30)5-11(6-18(20)40-16)39-27-25(23(35)22(34)19(8-28)41-27)42-26-24(36)21(33)15(32)9-38-26/h2-7,15,19,21-30,32-36H,8-9H2,1H3/t15-,19+,21-,22+,23-,24+,25+,26-,27+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)CO3)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(OC)C(O)=CC=3)=CC(=O)C=2C(O)=C1
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
23rd Dec 2021