[(3S,5S,6S,8R,9S,10R,13S,14S,16R,17R)-17-[(1R)-1,5-dimethylhexyl]-6-[hydroxy-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phosphoryl]oxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[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: [(3S,5S,6S,8R,9S,10R,13S,14S,16R,17R)-17-[(1R)-1,5-dimethylhexyl]-6-[hydroxy-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phosphoryl]oxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
• 英文别名: [(3S,5S,6S,8R,9S,10R,13S,14S,16R,17R)-6-[hydroxy-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
• 化学式: C₃₅H₆₁O₁₅PS
• 分子量: 784.9
• InChiKey: CMJVGXNZMJMOPY-RDTAXGCKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  52
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  244
• 氢给体数：
  6
• 氢受体数：
  15