5-[[3,4-Dihydroxy-6-[[17-(2-hydroxy-6-methylhepta-4,6-dien-2-yl)-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

• 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: 5-[[3,4-Dihydroxy-6-[[17-(2-hydroxy-6-methylhepta-4,6-dien-2-yl)-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
• 英文别名: 5-[[3,4-dihydroxy-6-[[17-(2-hydroxy-6-methylhepta-4,6-dien-2-yl)-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
• 化学式: C₄₈H₇₄O₁₆
• 分子量: 907.1
• InChiKey: OOMGWJIJFFWTJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  64
• 可旋转键数：
  15
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  259
• 氢给体数：
  8
• 氢受体数：
  16