[3H]digoxin

Ligand id: 4725

Name: [3H]digoxin    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 6
Rotatable bonds 7
Topological polar surface area 203.06
Molecular weight 780.43
XLogP 2.17
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one
Synonyms
[3H]-digoxin
Database Links
ChEMBL Ligand CHEMBL1751
PubChem CID 2724385
RCSB PDB Ligand DGX
Search Google for chemical match using the InChIKey LTMHDMANZUZIPE-PUGKRICDSA-N
Search Google for chemicals with the same backbone LTMHDMANZUZIPE