[13,31,38,42,62-Pentahydroxy-28-(4-hydroxypentyl)-12-methoxy-51-(methoxymethyl)-3-oxo-4,40-dioxa-43,44-dithia-53-azapentadecacyclo[58.6.2.12,46.12,48.15,34.132,36.135,39.155,59.08,17.010,15.016,30.017,33.018,27.020,25.064,68]tetraheptaconta-1(67),10,12,14,18,20,22,24,35(72),36,38,55(69),56,58,60(68),61,63,65-octadecaen-49-yn-7-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: [13,31,38,42,62-Pentahydroxy-28-(4-hydroxypentyl)-12-methoxy-51-(methoxymethyl)-3-oxo-4,40-dioxa-43,44-dithia-53-azapentadecacyclo[58.6.2.12,46.12,48.15,34.132,36.135,39.155,59.08,17.010,15.016,30.017,33.018,27.020,25.064,68]tetraheptaconta-1(67),10,12,14,18,20,22,24,35(72),36,38,55(69),56,58,60(68),61,63,65-octadecaen-49-yn-7-yl] acetate
• 英文别名: [13,31,38,42,62-pentahydroxy-28-(4-hydroxypentyl)-12-methoxy-51-(methoxymethyl)-3-oxo-4,40-dioxa-43,44-dithia-53-azapentadecacyclo[58.6.2.12,46.12,48.15,34.132,36.135,39.155,59.08,17.010,15.016,30.017,33.018,27.020,25.064,68]tetraheptaconta-1(67),10,12,14,18,20,22,24,35(72),36,38,55(69),56,58,60(68),61,63,65-octadecaen-49-yn-7-yl] acetate
• 化学式: C₇₉H₈₇NO₁₃S₂
• 分子量: 1322.7
• InChiKey: IFLJPNRHMSNVAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.8
• 重原子数：
  95
• 可旋转键数：
  9
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  264
• 氢给体数：
  7
• 氢受体数：
  16