General
Preferred name
Hastatoside
Synonyms
P&D ID
PD088011
CAS
50816-24-5
Tags
available
natural product
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
10
Properties
(calculated by RDKit )
Molecular Weight
404.13
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
5
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
0
cLogP
-2.83
TPSA
172.21
Fraction CSP3
0.76
Chiral centers
9.0
Largest ring
6.0
QED
0.31
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
