5a,5b,8,8,11a-Pentamethyl-1-prop-1-en-2-yl-9-[3,4,5-trihydroxy-2,3,4,5,6-pentamethyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-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: 5a,5b,8,8,11a-Pentamethyl-1-prop-1-en-2-yl-9-[3,4,5-trihydroxy-2,3,4,5,6-pentamethyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
• 英文别名: 5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-[3,4,5-trihydroxy-2,3,4,5,6-pentamethyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
• 化学式: C₅₂H₈₈O₁₃
• 分子量: 921.2
• InChiKey: CBKZEZHCQOJLBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  65
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  216
• 氢给体数：
  8
• 氢受体数：
  13