6-Oxofurostane and (iso)Spirostane Types of Saponins in Smilax sieboldii: UHPLC-QToF-MS/MS and GNPS-Molecular Networking Approach for the Rapid Dereplication and Biodistribution of Specialized Metabolites

Identifying novel phytochemical secondary metabolites following classical pharmacognostic investigations is tedious and often involves repetitive chromatographic efforts. During the past decade, Ultra-High Performance Liquid Chromatography-Quadrupole Time of Flight-Tandem Mass Spectrometry (UHPLC-QToF-MS/MS), in combination with molecular networking, has been successfully demonstrated for rapid dereplication natural products complex mixtures. As a logical application such innovative tools botanical research, more than 40 unique 3-oxy-, 3, 6-dioxy-, 6, 27-trioxy-steroidal saponins were identified aerial parts rhizomes botanically verified Smilax sieboldii. Tandem mass diagnostic fragmentation patterns aglycones, diosgenin, sarsasapogenin/tigogenin, or laxogenin critical to establishing nodes belonging six groups nineteen unknown steroidal S. analysis resulted identification 6-hydroxy sapogenins, believed be key precursors biogenesis characteristic smilaxins sieboldins, along other within These analytes’ relative biodistribution networking profiles established by analyzing leaf, stem, root/rhizome Deducing anticipated aid overall product integrity dietary supplements while avoiding helping identify exogenous components finished products.