Structure Database (LMSD)
Common Name
Viscumiside A
Systematic Name
Synonyms
3D model of Viscumiside A
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)
KZQCCKUDYVSOLC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H24O11/c1-30-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)32-14)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3
SMILES (Click to copy)
C1C(OC2OC(CO)C(O)C(O)C2O)=CC2OC(C3C=C(OC)C(O)=CC=3)CC(=O)C=2C=1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
4
Aromatic Rings
2
Rotatable Bonds
5
Van der Waals Molecular Volume
396.13
Topological Polar Surface Area
179.51
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
11
logP
1.71
Molar Refractivity
112.53
Admin
Created at
-
Updated at
-