(4aR,5R,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aS,14bS)-5,8,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6a,6b,9,12a,14b-octamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,3,4,5,6,7,8,8a,10,11,12,13-dodecahydropicene-4a-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: (4aR,5R,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aS,14bS)-5,8,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6a,6b,9,12a,14b-octamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,3,4,5,6,7,8,8a,10,11,12,13-dodecahydropicene-4a-carboxylic acid
• 英文别名: (4aR,5R,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aS,14bS)-5,8,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6a,6b,9,12a,14b-octamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,7,8,8a,10,11,12,13-dodecahydropicene-4a-carboxylic acid
• 化学式: C₃₈H₆₂O₁₂
• 分子量: 710.9
• InChiKey: RMKBUXIWEIXOCR-MFALUJJMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  50
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  218
• 氢给体数：
  9
• 氢受体数：
  12