General
Preferred name
Pinoresinol 4-O-β-D-glucopyranoside
Synonyms
Pinoresinol 4-O-¦Â-D-glucopyranoside ()
(+)-Pinoresinol 4-O-¦Â-D-glucopyranoside ()
(+)-Pinoresinol 4-O-β-D-glucopyranoside ()
P&D ID
PD127341
CAS
69251-96-3
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
11
Properties
(calculated by RDKit )
Molecular Weight
520.19
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
5
Rotatable Bonds
7
Ring Count
5
Aromatic Ring Count
2
cLogP
0.66
TPSA
156.53
Fraction CSP3
0.54
Chiral centers
9.0
Largest ring
6.0
QED
0.35
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
