Structure Database (LMSD)
Common Name
Hispidol 6-glucoside
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Hispidol 6-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)
GVRZCIYFKOQSQL-QNDFHXLGSA-N
InChi (Click to copy)
InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-12-5-6-13-14(8-12)29-15(17(13)24)7-10-1-3-11(23)4-2-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21-/m1/s1
SMILES (Click to copy)
C12C(=O)C(=CC3C=CC(O)=CC=3)OC=1C=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C=C2
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
4
Aromatic Rings
2
Rotatable Bonds
4
Van der Waals Molecular Volume
358.61
Topological Polar Surface Area
150.05
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
9
logP
1.90
Molar Refractivity
104.93
Admin
Created at
-
Updated at
13th Oct 2021