General
Preferred name
Soyasaponin Bb
Synonyms
SOYASAPONIN I ()
P&D ID
PD080516
CAS
51330-27-9
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 ]]
Compound Sets
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
942.52
Hydrogen Bond Acceptors
17
Hydrogen Bond Donors
11
Rotatable Bonds
9
Ring Count
8
Aromatic Ring Count
0
cLogP
0.7
TPSA
294.98
Fraction CSP3
0.94
Chiral centers
25.0
Largest ring
6.0
QED
0.11
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
caspase-3
NF-¦ªb
Aldose Reductase
MOA
Caspase
Pathway
Apoptosis
Metabolic Enzyme/Protease
Source data
