[4,5-Dihydroxy-6-[3-hydroxy-2-(hydroxymethyl)-6-[[16-hydroxy-2,6,6,10,16-pentamethyl-17-(3-methylbut-2-enyl)-18,20-dioxahexacyclo[17.2.1.01,14.02,11.05,10.015,19]docosan-7-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [4,5-Dihydroxy-6-[3-hydroxy-2-(hydroxymethyl)-6-[[16-hydroxy-2,6,6,10,16-pentamethyl-17-(3-methylbut-2-enyl)-18,20-dioxahexacyclo[17.2.1.01,14.02,11.05,10.015,19]docosan-7-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
• 英文别名: [4,5-dihydroxy-6-[3-hydroxy-2-(hydroxymethyl)-6-[[16-hydroxy-2,6,6,10,16-pentamethyl-17-(3-methylbut-2-enyl)-18,20-dioxahexacyclo[17.2.1.01,14.02,11.05,10.015,19]docosan-7-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
• 化学式: C₄₈H₇₈O₂₁S
• 分子量: 1023.2
• InChiKey: XHOKVHJYEFYPAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  70
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  328
• 氢给体数：
  10
• 氢受体数：
  21