文献类型：期刊文献

英文题名：Crystal structure and physical stability of ginsenoside compound-K solvates

作者：Chen, Jinyao[1];Zhu, Wenming[2];Ji, Weijie[1];Zhu, Bin[1];Guo, Chunyang[1];Qi, Minghui[1];Ren, Guobin[1]

机构：[1]East China Univ Sci & Technol, Engn Res Ctr Pharmaceut Proc Chem, Sch Pharm, Minist Educ,Shanghai Key Lab New Drug Design,Lab, Shanghai 200237, Peoples R China;[2]Zhejiang Hisun Pharmaceut Co, Zhejiang Key Lab Antifungal Drugs, Taizhou 318000, Zhejiang, Peoples R China

年份：2019

卷号：21

期号：47

起止页码：7313

外文期刊名：CRYSTENGCOMM

收录：;EI(收录号：20194907787727);WOS:【SCI-EXPANDED(收录号:WOS:000507597200013)】；

基金：This work was supported by the National Natural Science Foundation of China (No. 21706064, No. 21776073) and Fundamental Research Funds for the Central Universities (No. 222201814049).

语种：英文

外文关键词：Hydrogen bonds - X ray diffraction - Organic solvents - Thermogravimetric analysis - Single crystals - Stability - Differential scanning calorimetry - Molecules - Ethanol

摘要：During a comprehensive structure and stability study on the hydrates and alcohol solvates of pharmaceutical molecule ginsenoside compound K (20-O-beta-glucopyranosyl-20(S)-protopanaxadiol, GCK), the crystal structure of hemihydrate (HH), ethanol solvate (S-Et) and ethanol/water solvate (S-EtW) were determined by single-crystal X-ray diffraction (SCXRD) for the first time. All of the solvates were also characterized by powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). Thermal and hygroscopic stabilities of the solvates were measured by phase transition experiments as well as by stress tests. The results indicate that only the monohydrate exhibited superior physical stability, and the release of solvent molecules made little difference on the crystal architecture for HH, dihydrate (DH) and S-Et, while methanol/water solvate (S-MeW), S-EtW and isopropanol/water solvate (S-iPrW) all experienced a phase change during the experiment. Geometry energies among the asymmetric host molecules, hydrogen bond and Hirshfeld analyses, and packing index were used to rationalize the stability of GCK solvates.