3-[2-[4,5-Dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]peroxy-17-(5-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-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-12-one

• 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: 3-[2-[4,5-Dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]peroxy-17-(5-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-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-12-one
• 英文别名: 3-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]peroxy-17-(5-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-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-12-one
• 化学式: C₄₆H₇₆O₁₈
• 分子量: 917.1
• InChiKey: PYFMPFAZOOGLSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  64
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  284
• 氢给体数：
  10
• 氢受体数：
  18