2-[4-Hydroxy-2-(hydroxymethyl)-6-[[17-(3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-12-methylidene-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-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-[4-Hydroxy-2-(hydroxymethyl)-6-[[17-(3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-12-methylidene-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 英文别名: 2-[4-hydroxy-2-(hydroxymethyl)-6-[[17-(3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-12-methylidene-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 化学式: C₅₂H₈₆O₂₁
• 分子量: 1047.2
• InChiKey: FQOKGCYXFKPBPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  73
• 可旋转键数：
  15
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  337
• 氢给体数：
  13
• 氢受体数：
  21