2-[6-[6,16-Dihydroxy-10,13,14-trimethyl-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylheptan-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-[6-[6,16-Dihydroxy-10,13,14-trimethyl-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylheptan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 英文别名: 2-[6-[6,16-dihydroxy-10,13,14-trimethyl-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylheptan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 化学式: C₄₆H₈₀O₁₉
• 分子量: 937.1
• InChiKey: KLPOWBDZYSWOTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  65
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  318
• 氢给体数：
  13
• 氢受体数：
  19