6-[[2,22-Diacetyloxy-23-hydroxy-4,5,9,9,13,20,20-heptamethyl-21-(2-methylbut-2-enoyloxy)-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5,6-tetrahydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxane-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: 6-[[2,22-Diacetyloxy-23-hydroxy-4,5,9,9,13,20,20-heptamethyl-21-(2-methylbut-2-enoyloxy)-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5,6-tetrahydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxane-2-carboxylic acid
• 英文别名: 6-[[2,22-diacetyloxy-23-hydroxy-4,5,9,9,13,20,20-heptamethyl-21-(2-methylbut-2-enoyloxy)-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5,6-tetrahydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxane-2-carboxylic acid
• 化学式: C₆₃H₉₈O₂₉
• 分子量: 1319.4
• InChiKey: UCVZGFUSGKVCEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  92
• 可旋转键数：
  18
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  453
• 氢给体数：
  14
• 氢受体数：
  29