(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,4aR,5R,6aR,6bS,8R,8aR,12aS,14aR,14bS)-8a-carboxy-2,5,8-trihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,12a,14a,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14-dodecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

• 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,4S,5R,6R)-6-[[(2S,3R,4R,4aR,5R,6aR,6bS,8R,8aR,12aS,14aR,14bS)-8a-carboxy-2,5,8-trihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,12a,14a,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14-dodecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
• 英文别名: (2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,4aR,5R,6aR,6bS,8R,8aR,12aS,14aR,14bS)-8a-carboxy-2,5,8-trihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,12a,14a,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14-dodecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• 化学式: C₃₈H₆₀O₁₃
• 分子量: 724.9
• InChiKey: POCBWJWILGPRQA-SPSFDXATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  51
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  235
• 氢给体数：
  9
• 氢受体数：
  13