deslanoside

Ligand id: 6806

Name: deslanoside

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 19
Hydrogen bond donors 9
Rotatable bonds 10
Topological polar surface area 282.21
Molecular weight 942.48
XLogP 0.64
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
Withdrawn drug? Yes
IUPAC Name
4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
International Nonproprietary Names
INN number INN
1581 deslanoside
Synonyms
Cedilanide® | desacetyl-lanatoside C
Database Links
CAS Registry No. 17598-65-1
ChEBI CHEBI:31468
ChEMBL Ligand CHEMBL1614
DrugBank Ligand DB01078
PubChem CID 28620
Search Google for chemical match using the InChIKey OBATZBGFDSVCJD-LALPQLPRSA-N
Search Google for chemicals with the same backbone OBATZBGFDSVCJD
Search PubMed clinical trials deslanoside
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Search UniChem for chemical match using the InChIKey OBATZBGFDSVCJD-LALPQLPRSA-N
Search UniChem for chemicals with the same backbone OBATZBGFDSVCJD
Wikipedia Deslanoside
Comments
Sodium/potassium-transporting ATPase inhibitor (pan). This compound was originally discovered in the leaves of Digitalis lanata, the woolly foxglove.