(2S,3S,4R)-2-[[(2S,5S)-2-[[(1'S,4R,7R,8R,8aS)-8-ethyl-4-[hydroxy-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,4a,8a-trimethyl-2'-methylidenespiro[1,2,3,5,6,8-hexahydronaphthalene-7,4'-cyclopentane]-1'-yl]oxymethyl]-5-hydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]methoxymethyl]-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: (2S,3S,4R)-2-[[(2S,5S)-2-[[(1'S,4R,7R,8R,8aS)-8-ethyl-4-[hydroxy-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,4a,8a-trimethyl-2'-methylidenespiro[1,2,3,5,6,8-hexahydronaphthalene-7,4'-cyclopentane]-1'-yl]oxymethyl]-5-hydroxy-6-(hydroxymethyl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₄₈H₈₂O₂₃
• 分子量: 1027.1
• InChiKey: IVDPRNJZILTSPP-FDQLRIDFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  71
• 可旋转键数：
  17
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  377
• 氢给体数：
  15
• 氢受体数：
  23

文献信息

• STEVIA COMPOSITION
  申请人：Purkayastha Siddhartha

  公开号：US20140199246A1

  公开（公告）日：2014-07-17

  Stevia compositions are prepared from steviol glycosides of Stevia Rebaudiana Bertoni. The compositions are able to provide a superior taste profile and can be used as sweetness enhancers, flavor enhancers and sweeteners in foods, beverages, cosmetics and pharmaceuticals.