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Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates

Abstract

During a comprehensive structure and stability study on the hydrates and alcohol solvates of pharmaceutical molecule ginsenoside compound K (20-O-β-glucopyranosyl-20(S)-protopanaxadiol, GCK), the crystal structure of hemihydrate (HH), ethanol solvate (SEt) and ethanol/water solvate (SEtW) were determined by single-crystal X-ray diffraction (SCXRD) for the first time. All of 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 monohydrate exhibited superior physical stability, release of solvent molecule made little change on crystal architecture for HH, dihydrate (DH) and SEt, while methanol/water solvate (SMeW), SEtW and isopropanol/water solvate (SiPrW) all experienced phase change during the experiment. Geometry energies among the asymmetric host molecules , hydrogen bond, Hirshfeld analysis, and packing index were used to rationalize the stability of GCK solvates

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Publication details

The article was received on 21 Jun 2019, accepted on 21 Oct 2019 and first published on 22 Oct 2019


Article type: Paper
DOI: 10.1039/C9CE00965E
CrystEngComm, 2019, Accepted Manuscript

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    Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates

    J. Chen, W. Zhu, W. Ji, B. Zhu, C. Guo, M. Qi and G. Ren, CrystEngComm, 2019, Accepted Manuscript , DOI: 10.1039/C9CE00965E

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