2-[5-hydroxy-2-[hydroxy-[(1S,5R,9S,10S,13S)-13-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9,14-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methoxy]-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-[5-hydroxy-2-[hydroxy-[(1S,5R,9S,10S,13S)-13-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9,14-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methoxy]-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₅₆H₉₂O₃₃
• 分子量: 1293.3
• InChiKey: CQCKGNCDVGPXIA-HVHHLXOGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.2
• 重原子数：
  89
• 可旋转键数：
  19
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  536
• 氢给体数：
  21
• 氢受体数：
  33

文献信息

• [EN] STEVIOL GLYCOSIDES, THEIR COMPOSITIONS AND THEIR PURIFICATION<br/>[FR] GLYCOSIDES DE STÉVIOL, LEURS COMPOSITIONS ET LEUR PURIFICATION
  申请人：COCA COLA CO

  公开号：WO2014146135A2

  公开（公告）日：2014-09-18

  The present invention relates generally to steviol glycosides, as well as compositions comprising such steviol glycosides. The present invention further extends to methods of preparing and purifying such steviol glycosides and methods for enhancing the flavor or sweetness of consumables using these steviol glycosides and compositions. The present invention extends to consumables comprising steviol glycosides, where the such steviol glycosides are present in a concentration at or below their sweetness recognition threshold, and wherein such steviol glycosides enhance the sweetness of the consumable.