目的 采用生物药剂学分类系统（Biopharmaceuticals Classification System，BCS）对杠柳毒苷、杠柳次苷及杠柳苷元进行生物药剂学分类研究。方法 采用实验和计算机预测软件Pipeline Pilot 8.5、ChemDraw研究杠柳毒苷、杠柳次苷和杠柳苷元的溶解性和渗透性，根据实验值和预测值利用BCS分类方法对3者进行分类。结果 根据实验结果杠柳毒苷、杠柳次苷和杠柳苷元均为BCS Ⅲ类药物，与不同软件预测的分类结果存在差异。基于ClgP的渗透性结果与实验结果一致；基于lgC_s的溶解性及基于AlgP、lgD的渗透性预测结果与实验结果相反。结论 杠柳毒苷、杠柳次苷和杠柳苷元均为BCS Ⅲ类药物，3者溶解性依次降低，但仍都属于高溶解性成分。3者的渗透性是影响其吸收的关键因素。基于化学结构对甲型强心苷类药物活性成分进行的生物药剂学属性预测值与实验结果存在较大差异，对含此类成分的中药制剂的口服吸收进行BCS研究及体内外相关性评价时建议采用多种方法对数据进行校正，增加结果的可靠性。

Objective To investigate the biopharmaceutical classification of periplocin, periplocymarin and periplogenin by biopharmaceuticals classification system (BCS). Methods The solubility and permeability of periplocin, periplocymarin and periplogenin were studied by using experimental and computer prediction software Pipeline Pilot 8.5 and ChemDraw. These three substances were sorted based on experimental and predicted values by BCS classification method. Results According to the test results, periplocin, periplocymarin and periplogenin were classified as BCS Ⅲ, which are different from the classification results predicted by different software. The permeability results based on ClgP was consistent with the experimental results; The solubility based on lgC_s and the permeability based on AlgP and lgD were opposite to the experimental results. Conclusion The periplocin, periplocymarin and periplogenin are BCS Ⅲ drugs, the solubility is decreased in turn, but they are still highly soluble components. The permeability is the key factor affecting its absorption. The predicted value of biopharmaceutical properties of active ingredients of A-type cardiac glycosides based on the chemical structure are significant different with the test results, for the BCS study and the in vitro and in vivo correlation evaluation of oral absorption of traditional Chinese medicine preparations containing such ingredients, it is recommended to use a variety of methods to correct the data and increase the reliability of the results.

国家自然科学基金面上项目（81873191）