General
Preferred name
Madecassoside
Synonyms
Asiaticoside A ()
P&D ID
PD043673
CAS
34540-22-2
Tags
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 ]]
Compound Sets
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
974.51
Hydrogen Bond Acceptors
20
Hydrogen Bond Donors
13
Rotatable Bonds
9
Ring Count
8
Aromatic Ring Count
0
cLogP
-2.06
TPSA
335.44
Fraction CSP3
0.94
Chiral centers
28.0
Largest ring
6.0
QED
0.09
Structural alerts
1
Saponin/tannin
Detergent-like effects
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Autophagy
MAPK/ERK Pathway
Metabolic Enzyme/Protease
NF-κB
Target
Caspase
Endogenous Metabolite
Keap1-Nrf2
p38 MAPK
Source data
