(12,44,48,53,58-Pentahydroxy-59-methoxy-64-naphthalen-2-yl-5-oxo-4,46-dioxa-32,33,42,43-tetrathia-21-azapentadecacyclo[45.18.2.23,63.27,10.223,38.16,40.115,19.06,37.09,14.025,30.034,39.050,66.052,65.055,64.056,61]pentaheptaconta-7,9(14),10,12,15,17,19(73),25,27,29,47,49,56,58,60,66,74-heptadecaen-71-yn-68-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: (12,44,48,53,58-Pentahydroxy-59-methoxy-64-naphthalen-2-yl-5-oxo-4,46-dioxa-32,33,42,43-tetrathia-21-azapentadecacyclo[45.18.2.23,63.27,10.223,38.16,40.115,19.06,37.09,14.025,30.034,39.050,66.052,65.055,64.056,61]pentaheptaconta-7,9(14),10,12,15,17,19(73),25,27,29,47,49,56,58,60,66,74-heptadecaen-71-yn-68-yl) acetate
• 英文别名: (12,44,48,53,58-pentahydroxy-59-methoxy-64-naphthalen-2-yl-5-oxo-4,46-dioxa-32,33,42,43-tetrathia-21-azapentadecacyclo[45.18.2.23,63.27,10.223,38.16,40.115,19.06,37.09,14.025,30.034,39.050,66.052,65.055,64.056,61]pentaheptaconta-7,9(14),10,12,15,17,19(73),25,27,29,47,49,56,58,60,66,74-heptadecaen-71-yn-68-yl) acetate
• 化学式: C₈₁H₇₉NO₁₁S₄
• 分子量: 1370.8
• InChiKey: SPOBDCAQHMJNIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14
• 重原子数：
  97
• 可旋转键数：
  4
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  285
• 氢给体数：
  6
• 氢受体数：
  16