General
Preferred name
CATALPOL
Synonyms
catalpinoside ()
Digitalis purpurea L ()
P&D ID
PD052398
CAS
2415-24-9
Tags
natural product
available
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 ]]
Cell lines
1
Organisms
0
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
362.12
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
6
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
0
cLogP
-3.59
TPSA
161.6
Fraction CSP3
0.87
Chiral centers
11.0
Largest ring
6.0
QED
0.28
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
HBV
Source data
