Structure Database (LMSD)
Common Name
Naringenin 7-O-beta-D-glucoside 6''-acetate
Systematic Name
5,7,4'-Trihydroxyflavanone 7-(6-acetylglucoside)
Synonyms
3D model of Naringenin 7-O-beta-D-glucoside 6''-acetate
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)
WOWQBWNVGFBXQH-FPKZUJDXSA-N
InChi (Click to copy)
InChI=1S/C23H24O11/c1-10(24)31-9-18-20(28)21(29)22(30)23(34-18)32-13-6-14(26)19-15(27)8-16(33-17(19)7-13)11-2-4-12(25)5-3-11/h2-7,16,18,20-23,25-26,28-30H,8-9H2,1H3/t16-,18+,20+,21-,22+,23+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O2)C=C(O)C2C(=O)C[C@@H](C3C=CC(O)=CC=3)OC=2C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
4
Aromatic Rings
2
Rotatable Bonds
6
Van der Waals Molecular Volume
410.79
Topological Polar Surface Area
176.35
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
11
logP
2.27
Molar Refractivity
115.52
Admin
Created at
-
Updated at
14th Oct 2021