General
Preferred name
DIGITONIN
Synonyms
P&D ID
PD018807
CAS
11024-24-1
Tags
nuisance
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
4
Cayman Chemical Bioactives
14952
MedChem Express Bioactive Compound Library
HY-N4000
Nuisance compounds in cellular assays
Reference compounds for characterizing cellular injury in high-content cellular morphology assays
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
1228.57
Hydrogen Bond Acceptors
29
Hydrogen Bond Donors
17
Rotatable Bonds
14
Ring Count
11
Aromatic Ring Count
0
cLogP
-6.5
TPSA
454.67
Fraction CSP3
1.0
Chiral centers
38.0
Largest ring
6.0
QED
0.07
Structural alerts
1
Saponin/tannin
Detergent-like effects
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Cellular injury category
Saponin
Source data