General
Preferred name
Soyasaponin Ba
Synonyms
P&D ID
PD125779
CAS
114590-20-4
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 ]]
Compound Sets
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
958.51
Hydrogen Bond Acceptors
18
Hydrogen Bond Donors
12
Rotatable Bonds
10
Ring Count
8
Aromatic Ring Count
0
cLogP
-0.32
TPSA
315.21
Fraction CSP3
0.94
Chiral centers
25.0
Largest ring
6.0
QED
0.1
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Acetylcholinesterase
Aldose Reductase
Pathway
Metabolic Enzyme/Protease
Source data
