3-Hydroxy-4-[[3,4,5-trihydroxy-24-(2-hydroxyethyl)-14-(hydroxymethyl)-22-[2-(2-imino-6-oxo-8,9-dihydropurin-9-ium-9-yl)phenyl]-11,18-dioxo-7,27,29-trioxahexacyclo[21.3.2.12,6.08,21.010,19.012,17]nonacosa-8,10(19),12(17),13,15,20-hexaen-9-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-[[3,4,5-trihydroxy-24-(2-hydroxyethyl)-14-(hydroxymethyl)-22-[2-(2-imino-6-oxo-8,9-dihydropurin-9-ium-9-yl)phenyl]-11,18-dioxo-7,27,29-trioxahexacyclo[21.3.2.12,6.08,21.010,19.012,17]nonacosa-8,10(19),12(17),13,15,20-hexaen-9-yl]oxy]butanal
• 英文别名: 3-hydroxy-4-[[3,4,5-trihydroxy-24-(2-hydroxyethyl)-14-(hydroxymethyl)-22-[2-(2-imino-6-oxo-8,9-dihydropurin-9-ium-9-yl)phenyl]-11,18-dioxo-7,27,29-trioxahexacyclo[21.3.2.12,6.08,21.010,19.012,17]nonacosa-8,10(19),12(17),13,15,20-hexaen-9-yl]oxy]butanal
• 化学式: C44H46N5O14+
• 分子量: 868.9
• InChiKey: QWPPSZCUWVEAIG-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  63
• 可旋转键数：
  10
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  292
• 氢给体数：
  9
• 氢受体数：
  16