45-(Diaminomethyl)-23-(2,3-dihydroxypropyl)-3,11,38-trihydroxy-32-(hydroxymethyl)-28-(2-phenylethyl)-9-oxa-35,36,41,42-tetrathia-52-azadecacyclo[42.13.2.12,6.110,14.120,38.120,39.124,33.026,31.047,58.051,55]tetrahexaconta-2,4,6(64),10,12,14(63),18,26(31),27,29,44(59),45,47(58),51(55),53-pentadecaen-48-yne-17,56-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 45-(Diaminomethyl)-23-(2,3-dihydroxypropyl)-3,11,38-trihydroxy-32-(hydroxymethyl)-28-(2-phenylethyl)-9-oxa-35,36,41,42-tetrathia-52-azadecacyclo[42.13.2.12,6.110,14.120,38.120,39.124,33.026,31.047,58.051,55]tetrahexaconta-2,4,6(64),10,12,14(63),18,26(31),27,29,44(59),45,47(58),51(55),53-pentadecaen-48-yne-17,56-dione
• 英文别名: 45-(diaminomethyl)-23-(2,3-dihydroxypropyl)-3,11,38-trihydroxy-32-(hydroxymethyl)-28-(2-phenylethyl)-9-oxa-35,36,41,42-tetrathia-52-azadecacyclo[42.13.2.12,6.110,14.120,38.120,39.124,33.026,31.047,58.051,55]tetrahexaconta-2,4,6(64),10,12,14(63),18,26(31),27,29,44(59),45,47(58),51(55),53-pentadecaen-48-yne-17,56-dione
• 化学式: C₇₁H₈₁N₃O₉S₄
• 分子量: 1248.7
• InChiKey: DQXNQGRMJUOWGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  87
• 可旋转键数：
  8
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  334
• 氢给体数：
  9
• 氢受体数：
  15