[52-(3,4-Dihydronaphthalen-2-yl)-12,32,36,41,46-pentahydroxy-47-methoxy-5-oxo-4,34-dioxa-30,31-dithia-21-azadodecacyclo[33.18.2.23,51.27,10.16,26.16,28.115,19.09,14.038,54.040,53.043,52.044,49]dohexaconta-7,9(14),10,12,15,17,19(60),35,37,44,46,48,54,61-tetradecaen-24-yn-56-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: [52-(3,4-Dihydronaphthalen-2-yl)-12,32,36,41,46-pentahydroxy-47-methoxy-5-oxo-4,34-dioxa-30,31-dithia-21-azadodecacyclo[33.18.2.23,51.27,10.16,26.16,28.115,19.09,14.038,54.040,53.043,52.044,49]dohexaconta-7,9(14),10,12,15,17,19(60),35,37,44,46,48,54,61-tetradecaen-24-yn-56-yl] acetate
• 英文别名: [52-(3,4-dihydronaphthalen-2-yl)-12,32,36,41,46-pentahydroxy-47-methoxy-5-oxo-4,34-dioxa-30,31-dithia-21-azadodecacyclo[33.18.2.23,51.27,10.16,26.16,28.115,19.09,14.038,54.040,53.043,52.044,49]dohexaconta-7,9(14),10,12,15,17,19(60),35,37,44,46,48,54,61-tetradecaen-24-yn-56-yl] acetate
• 化学式: C₇₀H₇₁NO₁₁S₂
• 分子量: 1166.4
• InChiKey: ZRTVACTVJHEFFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  84
• 可旋转键数：
  4
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  235
• 氢给体数：
  6
• 氢受体数：
  14