[12,44,48,53,58-Pentahydroxy-59-methoxy-5-oxo-64-(2-phenylethenyl)-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-5-oxo-64-(2-phenylethenyl)-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-5-oxo-64-(2-phenylethenyl)-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: C₇₉H₇₉NO₁₁S₄
• 分子量: 1346.7
• InChiKey: KSLVJBKAERTDPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.4
• 重原子数：
  95
• 可旋转键数：
  5
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  285
• 氢给体数：
  6
• 氢受体数：
  16