Structure Database (LMSD)
Common Name
Luteolin 7-(6''''-acetylallosyl-(1->3)-glucosyl-(1->2)-glucoside
Systematic Name
Synonyms
- Veronicoside A
3D model of Luteolin 7-(6''''-acetylallosyl-(1->3)-glucosyl-(1->2)-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)
NYQFNTVKTSVQGD-MAHPGTCNSA-N
InChi (Click to copy)
InChI=1S/C35H42O22/c1-11(38)50-10-22-25(44)27(46)29(48)33(55-22)56-31-26(45)21(9-37)53-34(30(31)49)57-32-28(47)24(43)20(8-36)54-35(32)51-13-5-16(41)23-17(42)7-18(52-19(23)6-13)12-2-3-14(39)15(40)4-12/h2-7,20-22,24-37,39-41,43-49H,8-10H2,1H3/t20-,21-,22-,24-,25-,26-,27-,28+,29-,30-,31+,32-,33+,34+,35-/m1/s1
SMILES (Click to copy)
C1C=C(O)C(O)=CC=1C1=CC(=O)C2C(O)=CC(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O[C@H]5[C@H](O)[C@H](O)[C@H](O)[C@@H](COC(=O)C)O5)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
57
Rings
6
Aromatic Rings
3
Rotatable Bonds
12
Van der Waals Molecular Volume
676.82
Topological Polar Surface Area
360.86
Hydrogen Bond Donors
12
Hydrogen Bond Acceptors
22
logP
2.02
Molar Refractivity
191.38
Admin
Created at
-
Updated at
4th Jan 2022