dioscin

Ligand id: 840

Name: dioscin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 8
Rotatable bonds 7
Topological polar surface area 235.68
Molecular weight 868.48
XLogP 2.84
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
CAS Registry No. 60478-68-4 (source: NCI)
ChEBI CHEBI:74023
ChEMBL Ligand CHEMBL507001
GtoPdb PubChem SID 135650191
PubChem CID 119245
Search Google for chemical match using the InChIKey VNONINPVFQTJOC-ZGXDEBHDSA-N
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Search UniChem for chemical match using the InChIKey VNONINPVFQTJOC-ZGXDEBHDSA-N
Search UniChem for chemicals with the same backbone VNONINPVFQTJOC