[17-Ethyl-3-[5-[5-[4-hydroxy-5-[6-(hydroxymethyl)-4-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-15-oxo-1,2,3,4,7,8,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] acetate

• 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: [17-Ethyl-3-[5-[5-[4-hydroxy-5-[6-(hydroxymethyl)-4-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-15-oxo-1,2,3,4,7,8,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] acetate
• 英文别名: [17-ethyl-3-[5-[5-[4-hydroxy-5-[6-(hydroxymethyl)-4-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-15-oxo-1,2,3,4,7,8,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] acetate
• 化学式: C₅₆H₉₀O₂₂
• 分子量: 1115.3
• InChiKey: ZUAKUAWNULTIIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  78
• 可旋转键数：
  18
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  285
• 氢给体数：
  6
• 氢受体数：
  22