3-Hydroxy-4-[[23,27,29-trihydroxy-18-(2-hydroxyethyl)-9,26-bis(hydroxymethyl)-17-[2-(2-imino-6-oxo-8,9-dihydropurin-9-ium-9-yl)phenyl]-6,13-dioxo-2,20,28-trioxahexacyclo[20.5.1.123,27.03,16.05,14.07,12]nonacosa-3,5(14),7(12),8,10,15,18-heptaen-4-yl]oxy]butanal

• 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-Hydroxy-4-[[23,27,29-trihydroxy-18-(2-hydroxyethyl)-9,26-bis(hydroxymethyl)-17-[2-(2-imino-6-oxo-8,9-dihydropurin-9-ium-9-yl)phenyl]-6,13-dioxo-2,20,28-trioxahexacyclo[20.5.1.123,27.03,16.05,14.07,12]nonacosa-3,5(14),7(12),8,10,15,18-heptaen-4-yl]oxy]butanal
• 英文别名: 3-hydroxy-4-[[23,27,29-trihydroxy-18-(2-hydroxyethyl)-9,26-bis(hydroxymethyl)-17-[2-(2-imino-6-oxo-8,9-dihydropurin-9-ium-9-yl)phenyl]-6,13-dioxo-2,20,28-trioxahexacyclo[20.5.1.123,27.03,16.05,14.07,12]nonacosa-3,5(14),7(12),8,10,15,18-heptaen-4-yl]oxy]butanal
• 化学式: C45H46N5O15+
• 分子量: 896.9
• InChiKey: MOIBTQDOLRPUMR-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  65
• 可旋转键数：
  11
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  312
• 氢给体数：
  10
• 氢受体数：
  17