[3-[5-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-3-(2,3,4-trihydroxycyclohexyl)oxyoxan-2-yl]oxy-5-hydroxy-2-[[6-(2-hydroxy-4-methylpentyl)-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]oxan-4-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: [3-[5-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-3-(2,3,4-trihydroxycyclohexyl)oxyoxan-2-yl]oxy-5-hydroxy-2-[[6-(2-hydroxy-4-methylpentyl)-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]oxan-4-yl] hydrogen sulfate
• 英文别名: [3-[5-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-3-(2,3,4-trihydroxycyclohexyl)oxyoxan-2-yl]oxy-5-hydroxy-2-[[6-(2-hydroxy-4-methylpentyl)-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]oxan-4-yl] hydrogen sulfate
• 化学式: C₅₉H₉₆O₂₈S
• 分子量: 1285.4
• InChiKey: TVENTDRCJNDIDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  88
• 可旋转键数：
  18
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  444
• 氢给体数：
  14
• 氢受体数：
  28