3-[2,2-Diamino-1-[7,8,9-trihydroxy-26-(hydroxymethoxy)-3-[[6-(hydroxymethyl)-4,5-dihydropyrrolo[3,4-b]pyrrol-5-ium-5-yl]methyl]-19-phenyl-11,13,17,24,31-pentaoxaheptacyclo[16.13.1.02,16.04,14.07,12.025,30.029,32]dotriaconta-2(16),3,14,25,27,29-hexaen-20-yn-10-yl]ethoxy]-3-oxopropanoic 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: 3-[2,2-Diamino-1-[7,8,9-trihydroxy-26-(hydroxymethoxy)-3-[[6-(hydroxymethyl)-4,5-dihydropyrrolo[3,4-b]pyrrol-5-ium-5-yl]methyl]-19-phenyl-11,13,17,24,31-pentaoxaheptacyclo[16.13.1.02,16.04,14.07,12.025,30.029,32]dotriaconta-2(16),3,14,25,27,29-hexaen-20-yn-10-yl]ethoxy]-3-oxopropanoic acid
• 英文别名: 3-[2,2-diamino-1-[7,8,9-trihydroxy-26-(hydroxymethoxy)-3-[[6-(hydroxymethyl)-4,5-dihydropyrrolo[3,4-b]pyrrol-5-ium-5-yl]methyl]-19-phenyl-11,13,17,24,31-pentaoxaheptacyclo[16.13.1.02,16.04,14.07,12.025,30.029,32]dotriaconta-2(16),3,14,25,27,29-hexaen-20-yn-10-yl]ethoxy]-3-oxopropanoic acid
• 化学式: C47H49N4O15+
• 分子量: 909.9
• InChiKey: YVLREZIBIYHPOV-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  66
• 可旋转键数：
  12
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  289
• 氢给体数：
  9
• 氢受体数：
  18