General
Preferred name
?-Glucogallin
Synonyms
P&D ID
PD165869
CAS
13405-60-2
554-37-0
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
0
Organisms
1
Compound Sets
1
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
332.07
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
7
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
1
cLogP
-2.24
TPSA
177.14
Fraction CSP3
0.46
Chiral centers
5.0
Largest ring
6.0
QED
0.24
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
