Structure Database (LMSD)
Common Name
Lucenin-2,3'-O-glucoside
Systematic Name
Synonyms
3D model of Lucenin-2,3'-O-glucoside
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)
FJWPJBPOFKVCBL-YVTPDNDBSA-N
InChi (Click to copy)
InChI=1S/C33H40O21/c34-5-13-19(39)24(44)27(47)31(51-13)17-22(42)16-10(38)4-11(50-30(16)18(23(17)43)32-28(48)25(45)20(40)14(6-35)52-32)8-1-2-9(37)12(3-8)53-33-29(49)26(46)21(41)15(7-36)54-33/h1-4,13-15,19-21,24-29,31-37,39-49H,5-7H2/t13-,14-,15-,19-,20-,21-,24+,25+,26+,27-,28-,29-,31+,32+,33-/m1/s1
SMILES (Click to copy)
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2OC(C3C=CC(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
54
Rings
6
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
636.07
Topological Polar Surface Area
376.79
Hydrogen Bond Donors
15
Hydrogen Bond Acceptors
21
logP
0.26
Molar Refractivity
180.98
Admin
Created at
-
Updated at
27th Dec 2021