[4,5-Dihydroxy-6-[5-hydroxy-3-[3-hydroxy-5-(hydroxymethyl)-4-sulfooxyoxolan-2-yl]oxy-2-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

• 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: [4,5-Dihydroxy-6-[5-hydroxy-3-[3-hydroxy-5-(hydroxymethyl)-4-sulfooxyoxolan-2-yl]oxy-2-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
• 英文别名: [4,5-dihydroxy-6-[5-hydroxy-3-[3-hydroxy-5-(hydroxymethyl)-4-sulfooxyoxolan-2-yl]oxy-2-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
• 化学式: C₄₆H₇₄O₂₃S₂
• 分子量: 1059.2
• InChiKey: PZXGNYNXDFMDSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  71
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  359
• 氢给体数：
  9
• 氢受体数：
  23