[3,4,5-Trihydroxy-6-[[3-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy-17-(3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-12-oxo-1,2,3,4,7,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]oxan-2-yl]methyl 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: [3,4,5-Trihydroxy-6-[[3-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy-17-(3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-12-oxo-1,2,3,4,7,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]oxan-2-yl]methyl acetate
• 英文别名: [3,4,5-trihydroxy-6-[[3-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy-17-(3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-12-oxo-1,2,3,4,7,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]oxan-2-yl]methyl acetate
• 化学式: C₅₃H₈₆O₂₃
• 分子量: 1091.2
• InChiKey: LTDYJAJKLBEZOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  76
• 可旋转键数：
  17
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  360
• 氢给体数：
  12
• 氢受体数：
  23