[17-[3-[5-[4-[3,5-Dihydroxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-5-sulfooxyoxan-2-yl]oxy-5-hydroxy-2,6,14,18,18-pentamethyl-7-(3-methylbut-2-enyl)-9-oxo-8-oxapentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-yl] acetate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: [17-[3-[5-[4-[3,5-Dihydroxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-5-sulfooxyoxan-2-yl]oxy-5-hydroxy-2,6,14,18,18-pentamethyl-7-(3-methylbut-2-enyl)-9-oxo-8-oxapentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-yl] acetate
• 英文别名: [17-[3-[5-[4-[3,5-dihydroxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-5-sulfooxyoxan-2-yl]oxy-5-hydroxy-2,6,14,18,18-pentamethyl-7-(3-methylbut-2-enyl)-9-oxo-8-oxapentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-yl] acetate
• 化学式: C₆₁H₉₈O₃₇S₃
• 分子量: 1519.6
• InChiKey: PWPNAAMMRVLOTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.9
• 重原子数：
  101
• 可旋转键数：
  23
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  572
• 氢给体数：
  13
• 氢受体数：
  37