5-[3-[[2-[(3S,5S,10S,13R,17R)-17-[2-[3,3-bis(3-carboxy-5-chloro-4-methoxy-phenyl)allylamino]-2-oxo-ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetyl]amino]-1-(3-carboxy-5-chloro-4-methoxy-phenyl)prop-1-enyl]-3-chloro-2-methoxy-benzoic 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-[[2-[(3S,5S,10S,13R,17R)-17-[2-[3,3-bis(3-carboxy-5-chloro-4-methoxy-phenyl)allylamino]-2-oxo-ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetyl]amino]-1-(3-carboxy-5-chloro-4-methoxy-phenyl)prop-1-enyl]-3-chloro-2-methoxy-benzoic acid
• 英文别名: 5-[3-[[2-[(3S,5S,10S,13R,17R)-17-[2-[3,3-bis(3-carboxy-5-chloro-4-methoxyphenyl)prop-2-enylamino]-2-oxoethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetyl]amino]-1-(3-carboxy-5-chloro-4-methoxyphenyl)prop-1-enyl]-3-chloro-2-methoxybenzoic acid
• 化学式: C₆₁H₆₆Cl₄N₂O₁₄
• 分子量: 1193.0
• InChiKey: WKXPFPVOFGVQKT-IKSMGJOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.1
• 重原子数：
  81
• 可旋转键数：
  20
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  244
• 氢给体数：
  6
• 氢受体数：
  14