General
Preferred name
acetyldigoxin
Synonyms
Beta-acetyldigoxin ()
P&D ID
PD072052
CAS
5355-48-6
Tags
natural product
drug
available
Drug indication
Cardiovascular disease
Drug Status
approved
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
822.44
Hydrogen Bond Acceptors
15
Hydrogen Bond Donors
5
Rotatable Bonds
8
Ring Count
8
Aromatic Ring Count
0
cLogP
2.79
TPSA
209.13
Fraction CSP3
0.91
Chiral centers
21.0
Largest ring
6.0
QED
0.18
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
