LigandBoxID:D09847

NAME:Metildigoxin;Medigoxin
SMILES: COC3C(OC(OC5C(OC(OC4C(OC(OC2CCC7(C(C2)CCC6C7CC(C8(C(C=1COC(C=1)=O)CCC86O)C)O)C)CC4O)C)CC5O)C)CC3O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D09847

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C42H66O14 794.976 0 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
14 21 -0.1519 -10.1670
LOGS LOGP    
-5.7637 2.9488    

Links to the same SMILES compounds

LIGANDBOX D02587 KSH2016-01077046 KSH2016-01634736
CHEMBL CHEMBL1599678 CHEMBL1697843
PUBCHEM 11954256 16395518 24868350 35418 4166
443946 46397416 49849790 9940598


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