37-(Diaminomethyl)-23-(2,3-dihydroxypropyl)-3,11,52-trihydroxy-9-oxa-33,34-dithia-44-azanonacyclo[34.13.2.220,31.12,6.110,14.120,31.023,27.039,50.043,47]hexapentaconta-2,4,6(56),10,12,14(55),18,36(51),37,39(50),43(47),45-dodecaen-28,40-diyne-17,48-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 37-(Diaminomethyl)-23-(2,3-dihydroxypropyl)-3,11,52-trihydroxy-9-oxa-33,34-dithia-44-azanonacyclo[34.13.2.220,31.12,6.110,14.120,31.023,27.039,50.043,47]hexapentaconta-2,4,6(56),10,12,14(55),18,36(51),37,39(50),43(47),45-dodecaen-28,40-diyne-17,48-dione
• 英文别名: 37-(diaminomethyl)-23-(2,3-dihydroxypropyl)-3,11,52-trihydroxy-9-oxa-33,34-dithia-44-azanonacyclo[34.13.2.220,31.12,6.110,14.120,31.023,27.039,50.043,47]hexapentaconta-2,4,6(56),10,12,14(55),18,36(51),37,39(50),43(47),45-dodecaen-28,40-diyne-17,48-dione
• 化学式: C₅₆H₆₃N₃O₈S₂
• 分子量: 970.2
• InChiKey: JQOYJEBCGVJPKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  69
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  263
• 氢给体数：
  8
• 氢受体数：
  12