[12,48,52,57,62-Pentahydroxy-63-methoxy-5-oxo-68-(2-phenylethenyl)-4,50-dioxa-40,41,46,47-tetrathia-21-azahexadecacyclo[49.18.2.23,67.27,10.16,44.115,19.06,27.09,14.022,31.025,42.028,43.033,38.054,70.056,69.059,68.060,65]heptaheptaconta-7,9(14),10,12,15,17,19(75),33,35,37,51,53,60,62,64,70,76-heptadecaen-29-yn-72-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: [12,48,52,57,62-Pentahydroxy-63-methoxy-5-oxo-68-(2-phenylethenyl)-4,50-dioxa-40,41,46,47-tetrathia-21-azahexadecacyclo[49.18.2.23,67.27,10.16,44.115,19.06,27.09,14.022,31.025,42.028,43.033,38.054,70.056,69.059,68.060,65]heptaheptaconta-7,9(14),10,12,15,17,19(75),33,35,37,51,53,60,62,64,70,76-heptadecaen-29-yn-72-yl] acetate
• 英文别名: [12,48,52,57,62-pentahydroxy-63-methoxy-5-oxo-68-(2-phenylethenyl)-4,50-dioxa-40,41,46,47-tetrathia-21-azahexadecacyclo[49.18.2.23,67.27,10.16,44.115,19.06,27.09,14.022,31.025,42.028,43.033,38.054,70.056,69.059,68.060,65]heptaheptaconta-7,9(14),10,12,15,17,19(75),33,35,37,51,53,60,62,64,70,76-heptadecaen-29-yn-72-yl] acetate
• 化学式: C₈₁H₈₁NO₁₁S₄
• 分子量: 1372.8
• InChiKey: BJHNOJVODKDSIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.9
• 重原子数：
  97
• 可旋转键数：
  5
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  285
• 氢给体数：
  6
• 氢受体数：
  16