Structure Database (LMSD)
Common Name
6-Hydroxyluteolin 5,6,3',4'-tetramethyl ether 7-cellobioside
Systematic Name
Synonyms
3D model of 6-Hydroxyluteolin 5,6,3',4'-tetramethyl ether 7-cellobioside
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)
NFQSGUMEUIEJAI-XFJVUAJXSA-N
InChi (Click to copy)
InChI=1S/C31H38O17/c1-40-14-6-5-12(7-16(14)41-2)15-8-13(34)21-17(44-15)9-18(28(42-3)29(21)43-4)45-30-26(39)24(37)27(20(11-33)47-30)48-31-25(38)23(36)22(35)19(10-32)46-31/h5-9,19-20,22-27,30-33,35-39H,10-11H2,1-4H3/t19-,20-,22-,23+,24-,25-,26-,27-,30-,31+/m1/s1
SMILES (Click to copy)
C1C=C(OC)C(OC)=CC=1C1=CC(=O)C2C(OC)=C(OC)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](CO)O3)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
48
Rings
5
Aromatic Rings
3
Rotatable Bonds
11
Van der Waals Molecular Volume
578.67
Topological Polar Surface Area
249.80
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
17
logP
2.83
Molar Refractivity
167.36
Admin
Created at
-
Updated at
22nd Dec 2021