General
Preferred name
PD166567
Synonyms
β-D-glucopyranosyl-[α-L-rhamnopyranosyl-(1→3)-βD-glucuronopyranosyl-(1→3)]-3β-hydroxyolean-12-ene28-oate ()
¦Â-D-glucopyranosyl-[¦Á-L-rhamnopyranosyl-(1¡ú3)-¦ÂD-glucuronopy ()
¦Â-D-glucopyranosyl-[¦Á-L-rhamnopyranosyl-(1¡ú3)-¦ÂD-glucuronopyranosyl-(1¡ú3)]-3¦Â-hydroxyolean-12-ene28-oate ()
P&D ID
PD166567
CAS
51161-58-1
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()] ]]
Description
(extracted from source data)
DESCRIPTION
¦Â-D-glucopyranosyl-[¦Á-L-rhamnopyranosyl-(1¡ú3)-¦ÂD-glucuronopyranosyl-(1¡ú3)]-3¦Â-hydroxyolean-12-ene28-oate, as a saponin, has a glucuronic acid attached to carbon C-3 and is isolated from S. simplex[1].
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Molecular Weight
940.5
Hydrogen Bond Acceptors
17
Hydrogen Bond Donors
10
Rotatable Bonds
8
Ring Count
8
Aromatic Ring Count
0
cLogP
1.26
TPSA
291.82
Fraction CSP3
0.92
Chiral centers
23.0
Largest ring
6.0
QED
0.09
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Source data
