(E,2S,4R,8S)-8-[(2S,5R,7S,8R,9R)-7-hydroxy-2-[(2R,4S,5S,7R,9S,10R)-2-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-9-[(3R,5S,6R)-5-methoxy-6-methyloxan-3-yl]oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (E,2S,4R,8S)-8-[(2S,5R,7S,8R,9R)-7-hydroxy-2-[(2R,4S,5S,7R,9S,10R)-2-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-9-[(3R,5S,6R)-5-methoxy-6-methyloxan-3-yl]oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid
• 化学式: C₄₇H₇₈O₁₃
• 分子量: 851.1
• InChiKey: TVAHQVRGOFPBFH-LICBDJEKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  60
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  169
• 氢给体数：
  3
• 氢受体数：
  13