[1,4-Dihydroxy-3-[3-(18-hydroxy-12-methyl-5-propan-2-yl-17-pentacyclo[9.5.1.14,16.01,8.08,13]octadec-9-enyl)propanoyloxy]-6-(2-hydroxypropylamino)-9-oxabicyclo[3.3.1]non-7-en-2-yl] 2-[[7-(2-hydroxyethyl)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

• 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: [1,4-Dihydroxy-3-[3-(18-hydroxy-12-methyl-5-propan-2-yl-17-pentacyclo[9.5.1.14,16.01,8.08,13]octadec-9-enyl)propanoyloxy]-6-(2-hydroxypropylamino)-9-oxabicyclo[3.3.1]non-7-en-2-yl] 2-[[7-(2-hydroxyethyl)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• 英文别名: [1,4-dihydroxy-3-[3-(18-hydroxy-12-methyl-5-propan-2-yl-17-pentacyclo[9.5.1.14,16.01,8.08,13]octadec-9-enyl)propanoyloxy]-6-(2-hydroxypropylamino)-9-oxabicyclo[3.3.1]non-7-en-2-yl] 2-[[7-(2-hydroxyethyl)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• 化学式: C₆₀H₈₁NO₁₃
• 分子量: 1024.3
• InChiKey: CDGCQVLYFLKTAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  74
• 可旋转键数：
  19
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  225
• 氢给体数：
  8
• 氢受体数：
  14