Structure Database (LMSD)
Common Name
Luteolin 7-galactosyl-(1->6)-galactoside
Systematic Name
Synonyms
3D model of Luteolin 7-galactosyl-(1->6)-galactoside
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)
LDTDRTSKWGQBAA-GJRFWMTHSA-N
InChi (Click to copy)
InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-8-18-21(34)23(36)25(38)27(43-18)40-10-4-13(31)19-14(32)6-15(41-16(19)5-10)9-1-2-11(29)12(30)3-9/h1-6,17-18,20-31,33-38H,7-8H2/t17-,18-,20+,21+,22+,23+,24-,25-,26-,27-/m1/s1
SMILES (Click to copy)
O1C2=C(C(O)=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)[C@@H](CO)O4)O3)=C2)C(=O)C=C1C1C=C(O)C(O)=CC=1
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
7
Van der Waals Molecular Volume
500.68
Topological Polar Surface Area
273.57
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
16
logP
1.91
Molar Refractivity
146.15
Admin
Created at
-
Updated at
13th Dec 2021