General
Preferred name
Darutoside
Synonyms
Darutin ()
P&D ID
PD098245
CAS
59219-65-7
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
3
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
484.3
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
6
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
0
cLogP
1.1
TPSA
139.84
Fraction CSP3
0.92
Chiral centers
11.0
Largest ring
6.0
QED
0.25
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
