General
Preferred name
Licorice-saponin H2
Synonyms
(18¦Â,20¦Á)-Glycyrrhizic acid ()
(18β,20α)-Glycyrrhizic acid ()
P&D ID
PD127217
CAS
118441-85-3
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
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
822.4
Hydrogen Bond Acceptors
13
Hydrogen Bond Donors
8
Rotatable Bonds
7
Ring Count
7
Aromatic Ring Count
0
cLogP
2.25
TPSA
267.04
Fraction CSP3
0.86
Chiral centers
19.0
Largest ring
6.0
QED
0.17
Structural alerts
1
Saponin/tannin
Detergent-like effects
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Source data
