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Abstract <p><i>Costus speciosus</i>, a threatened medicinal plant, is an important source of diosgenin, a bioactive steroidal saponin with pharmaceutical significance. However, variability in steroidal saponin composition across germplasm remains underexplored, partly due to the lack of efficient, comparative analytical approaches. This study aimed to develop and apply an effective analytical approach to evaluate the diversity and distribution of steroidal saponins in <i>C. speciosus</i> collected from two different localities, with the goal of identifying superior germplasm for potential industrial applications. Methanolic extracts of <i>C. speciosus</i> rhizomes from forest and urban habitats were analyzed by liquid chromatography−quadrupole time-of-flight tandem mass spectrometry (<b>LC−Q-TOF-MS/MS</b>). Data were processed using <i>MZmine</i> software and further evaluated by feature-based molecular networking (<b>FBMN</b>) on the Global Natural Products Social Molecular Networking platform. Molecular networks were visualized in Cytoscape for comparative analysis of phytochemical profiles. A total of 10 known compounds were identified through spectral library matching and fragmentation studies. Four new furostanol saponins were tentatively proposed, along with 11 other predicted steroidal glycosides differing in sugar moieties. Molecular networking revealed that forest-derived samples possessed greater saponin diversity and rare metabolites, including the first-time identification of atropine in <i>C. speciosus</i>. Isomeric forms of diosgenin and glycosylated analogues were also detected. The integrated FBMN and LC−Q-TOF-MS/MS method enabled a more effective evaluation of <i>C. speciosus</i> germplasm, revealing metabolite diversity, novel structures, and quality markers. This approach supports informed selection and efficient utilization of plant resources in phytochemical research and pharmaceutical development.</p>

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Steroidal Saponin Diversity in Costus speciosus Elucidated by Liquid Chromatography–Quadrupole Time-of-Flight Tandem Mass Spectrometry Coupled with Feature-Based Molecular Networking

  • 期刊论文

  • 发表日期：

    2026年1月1日

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  • Roshitha Kunnath Ramachandran,
  • Aritrick Sasmal,
  • Vivek Dhiman,
  • Sowmya Chaganti,
  • Supriya Jagtap,
  • Vijaya Madhyanapu Golla,
  • Gananadhamu Samanthula

摘要

Abstract

Costus speciosus, a threatened medicinal plant, is an important source of diosgenin, a bioactive steroidal saponin with pharmaceutical significance. However, variability in steroidal saponin composition across germplasm remains underexplored, partly due to the lack of efficient, comparative analytical approaches. This study aimed to develop and apply an effective analytical approach to evaluate the diversity and distribution of steroidal saponins in C. speciosus collected from two different localities, with the goal of identifying superior germplasm for potential industrial applications. Methanolic extracts of C. speciosus rhizomes from forest and urban habitats were analyzed by liquid chromatography−quadrupole time-of-flight tandem mass spectrometry (LC−Q-TOF-MS/MS). Data were processed using MZmine software and further evaluated by feature-based molecular networking (FBMN) on the Global Natural Products Social Molecular Networking platform. Molecular networks were visualized in Cytoscape for comparative analysis of phytochemical profiles. A total of 10 known compounds were identified through spectral library matching and fragmentation studies. Four new furostanol saponins were tentatively proposed, along with 11 other predicted steroidal glycosides differing in sugar moieties. Molecular networking revealed that forest-derived samples possessed greater saponin diversity and rare metabolites, including the first-time identification of atropine in C. speciosus. Isomeric forms of diosgenin and glycosylated analogues were also detected. The integrated FBMN and LC−Q-TOF-MS/MS method enabled a more effective evaluation of C. speciosus germplasm, revealing metabolite diversity, novel structures, and quality markers. This approach supports informed selection and efficient utilization of plant resources in phytochemical research and pharmaceutical development.