General
Preferred name
ISOSCHAFTOSIDE
Synonyms
P&D ID
PD087387
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
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
564.15
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
10
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
3
cLogP
-1.75
TPSA
250.97
Fraction CSP3
0.42
Chiral centers
9.0
Largest ring
6.0
QED
0.17
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
