13-[3-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-17-(hydroxymethyl)-10-(2-hydroxypropan-2-yl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,7,9,14,18-pentaoxatricyclo[13.3.1.03,8]nonadecane-4,5,16,19-tetrol

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 13-[3-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-17-(hydroxymethyl)-10-(2-hydroxypropan-2-yl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,7,9,14,18-pentaoxatricyclo[13.3.1.03,8]nonadecane-4,5,16,19-tetrol
• 化学式: C₆₅H₁₀₈O₃₃
• 分子量: 1417.5
• InChiKey: XZGWGWMWPZRDAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.5
• 重原子数：
  98
• 可旋转键数：
  16
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  525
• 氢给体数：
  20
• 氢受体数：
  33

文献信息

• [EN] NOVEL MOGROSIDES, COMPOSITIONS AND PURIFICATION METHODS<br/>[FR] NOUVEAUX MOGROSIDES, COMPOSITIONS ET PROCÉDÉS DE PURIFICATION
  申请人：COCA COLA CO

  公开号：WO2014146089A2

  公开（公告）日：2014-09-18

  Novel mogrosides and methods for heir purification are provided herein. In addition, compositions comprising said novel mogrosides and methods for preparing the same are provided.