Structure Database (LMSD)
Common Name
8-C-Glucopyranosyleriodictylol
Systematic Name
Synonyms
3D model of 8-C-Glucopyranosyleriodictylol
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)
CMVYWFJFAHQVQP-VHLXACGYSA-N
InChi (Click to copy)
InChI=1S/C21H22O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-4,13-14,17-19,21-26,28-30H,5-6H2/t13-,14+,17+,18-,19+,21-/m0/s1
SMILES (Click to copy)
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2O[C@H](C3C=C(O)C(O)=CC=3)CC(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
4
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
378.83
Topological Polar Surface Area
201.51
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
11
logP
1.16
Molar Refractivity
107.12
Admin
Created at
-
Updated at
13th Apr 2022