2-[2-[[2,13-Dihydroxy-1,11a,13a-trimethyl-2-[3-[[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxymethyl]but-3-enyl]-1,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13b-octadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

• 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: 2-[2-[[2,13-Dihydroxy-1,11a,13a-trimethyl-2-[3-[[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxymethyl]but-3-enyl]-1,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13b-octadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• 英文别名: 2-[2-[[2,13-dihydroxy-1,11a,13a-trimethyl-2-[3-[[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxymethyl]but-3-enyl]-1,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13b-octadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₄₈H₈₀O₁₈
• 分子量: 945.1
• InChiKey: SDYGHRGIMGBNSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  66
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  309
• 氢给体数：
  13
• 氢受体数：
  18