46-[6-(Aminomethyl)-4-hydroxyoxan-2-yl]oxy-35-[2-[(4-butoxyphenyl)sulfonylamino]-2-oxoethyl]-42-chloro-12-ethenyl-20,25,39-trihydroxy-22-methoxy-38-[[4-methyl-2-(methylamino)pentanoyl]amino]-15,31,34,37-tetraoxo-17-[(5-tetracyclo[4.3.1.14,8.01,3]undecanylamino)methyl]-2-oxa-16,30,33,36-tetrazahexacyclo[38.2.2.13,7.124,28.05,32.018,23]hexatetraconta-1(42),3,5,7(46),9,18(23),19,21,24,26,28(45),40,43-tridecaene-29-carboxamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 46-[6-(Aminomethyl)-4-hydroxyoxan-2-yl]oxy-35-[2-[(4-butoxyphenyl)sulfonylamino]-2-oxoethyl]-42-chloro-12-ethenyl-20,25,39-trihydroxy-22-methoxy-38-[[4-methyl-2-(methylamino)pentanoyl]amino]-15,31,34,37-tetraoxo-17-[(5-tetracyclo[4.3.1.14,8.01,3]undecanylamino)methyl]-2-oxa-16,30,33,36-tetrazahexacyclo[38.2.2.13,7.124,28.05,32.018,23]hexatetraconta-1(42),3,5,7(46),9,18(23),19,21,24,26,28(45),40,43-tridecaene-29-carboxamide
• 英文别名: 46-[6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy-35-[2-[(4-butoxyphenyl)sulfonylamino]-2-oxoethyl]-42-chloro-12-ethenyl-20,25,39-trihydroxy-22-methoxy-38-[[4-methyl-2-(methylamino)pentanoyl]amino]-15,31,34,37-tetraoxo-17-[(5-tetracyclo[4.3.1.14,8.01,3]undecanylamino)methyl]-2-oxa-16,30,33,36-tetrazahexacyclo[38.2.2.13,7.124,28.05,32.018,23]hexatetraconta-1(42),3,5,7(46),9,18(23),19,21,24,26,28(45),40,43-tridecaene-29-carboxamide
• 化学式: C₈₂H₁₀₃ClN₁₀O₁₈S
• 分子量: 1584.3
• InChiKey: YBIPJSWJRFMNRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  112
• 可旋转键数：
  22
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  437
• 氢给体数：
  14
• 氢受体数：
  21