[4-Hydroxy-2-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[7,9,13-trimethyl-5'-methylidene-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl] hydrogen sulfate

• 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: [4-Hydroxy-2-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[7,9,13-trimethyl-5'-methylidene-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl] hydrogen sulfate
• 英文别名: [4-hydroxy-2-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[7,9,13-trimethyl-5'-methylidene-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl] hydrogen sulfate
• 化学式: C₄₅H₇₀O₂₀S
• 分子量: 963.1
• InChiKey: XEQIXALDVKFSET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  66
• 可旋转键数：
  9
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  308
• 氢给体数：
  9
• 氢受体数：
  20