(12,50,54,59,64-Pentahydroxy-65-methoxy-70-naphthalen-2-yl-5-oxo-4,52-dioxa-27,28,48,49-tetrathia-21-azaheptadecacyclo[51.18.2.23,69.27,10.115,19.126,40.06,41.06,45.09,14.022,37.025,42.030,35.056,72.058,71.061,70.062,67.046,76]nonaheptaconta-7,9(14),10,12,15,17,19(77),30,32,34,53,55,62,64,66,72,78-heptadecaen-38-yn-74-yl) acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: (12,50,54,59,64-Pentahydroxy-65-methoxy-70-naphthalen-2-yl-5-oxo-4,52-dioxa-27,28,48,49-tetrathia-21-azaheptadecacyclo[51.18.2.23,69.27,10.115,19.126,40.06,41.06,45.09,14.022,37.025,42.030,35.056,72.058,71.061,70.062,67.046,76]nonaheptaconta-7,9(14),10,12,15,17,19(77),30,32,34,53,55,62,64,66,72,78-heptadecaen-38-yn-74-yl) acetate
• 英文别名: (12,50,54,59,64-pentahydroxy-65-methoxy-70-naphthalen-2-yl-5-oxo-4,52-dioxa-27,28,48,49-tetrathia-21-azaheptadecacyclo[51.18.2.23,69.27,10.115,19.126,40.06,41.06,45.09,14.022,37.025,42.030,35.056,72.058,71.061,70.062,67.046,76]nonaheptaconta-7,9(14),10,12,15,17,19(77),30,32,34,53,55,62,64,66,72,78-heptadecaen-38-yn-74-yl) acetate
• 化学式: C₈₅H₈₃NO₁₁S₄
• 分子量: 1422.8
• InChiKey: NDYQPVAXUXJFPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.1
• 重原子数：
  101
• 可旋转键数：
  4
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  285
• 氢给体数：
  6
• 氢受体数：
  16