General
Preferred name
Gentianose
Synonyms
P&D ID
PD167307
CAS
25954-44-3
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
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
504.17
Hydrogen Bond Acceptors
16
Hydrogen Bond Donors
11
Rotatable Bonds
8
Ring Count
3
Aromatic Ring Count
0
cLogP
-7.57
TPSA
268.68
Fraction CSP3
1.0
Chiral centers
14.0
Largest ring
6.0
QED
0.15
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
