[(2R,3R,4S,5R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxy-tetrahydropyran-2-yl]oxy-2-[(E,2S,3R,6R)-2,3-dimethyl-6-[(3S,4R,5S,6S,8S,9R,10S,13R,14S,15R,17R)-3,4,6,8,15-pentahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]hept-4-enoxy]-5-hydroxy-tetrahydropyran-4-yl] hydrogen sulfate

• 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: [(2R,3R,4S,5R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxy-tetrahydropyran-2-yl]oxy-2-[(E,2S,3R,6R)-2,3-dimethyl-6-[(3S,4R,5S,6S,8S,9R,10S,13R,14S,15R,17R)-3,4,6,8,15-pentahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]hept-4-enoxy]-5-hydroxy-tetrahydropyran-4-yl] hydrogen sulfate
• 英文别名: [(2R,3R,4S,5R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-2-[(E,2S,3R,6R)-2,3-dimethyl-6-[(3S,4R,5S,6S,8S,9R,10S,13R,14S,15R,17R)-3,4,6,8,15-pentahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]hept-4-enoxy]-5-hydroxyoxan-4-yl] hydrogen sulfate
• 化学式: C₃₉H₆₆O₁₇S
• 分子量: 839.0
• InChiKey: WQQYSCDPNRQHAS-KQZGNHSMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  57
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  280
• 氢给体数：
  9
• 氢受体数：
  17