3,8,25,57,74-Pentahydroxy-13-(2-hydroxyethyl)-14-(3-hydroxypropyl)-58-(2-methylpropyl)-75,78-dioxa-29,30,62,63,68,69-hexathia-48-azahexadecacyclo[44.13.6.439,47.25,24.233,36.12,6.112,16.122,31.140,44.150,54.010,21.019,31.049,64.056,60.09,76.020,77]octaheptaconta-1(60),2,5,7,9(76),10(21),11,16(77),17,19,33,35,40,42,44(71),50,52,54(66),56,58,72-henicosaene-4,38-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 3,8,25,57,74-Pentahydroxy-13-(2-hydroxyethyl)-14-(3-hydroxypropyl)-58-(2-methylpropyl)-75,78-dioxa-29,30,62,63,68,69-hexathia-48-azahexadecacyclo[44.13.6.439,47.25,24.233,36.12,6.112,16.122,31.140,44.150,54.010,21.019,31.049,64.056,60.09,76.020,77]octaheptaconta-1(60),2,5,7,9(76),10(21),11,16(77),17,19,33,35,40,42,44(71),50,52,54(66),56,58,72-henicosaene-4,38-dione
• 英文别名: 3,8,25,57,74-pentahydroxy-13-(2-hydroxyethyl)-14-(3-hydroxypropyl)-58-(2-methylpropyl)-75,78-dioxa-29,30,62,63,68,69-hexathia-48-azahexadecacyclo[44.13.6.439,47.25,24.233,36.12,6.112,16.122,31.140,44.150,54.010,21.019,31.049,64.056,60.09,76.020,77]octaheptaconta-1(60),2,5,7,9(76),10(21),11,16(77),17,19,33,35,40,42,44(71),50,52,54(66),56,58,72-henicosaene-4,38-dione
• 化学式: C₇₈H₈₁NO₁₁S₆
• 分子量: 1400.9
• InChiKey: PQDOOZQITDOYNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  96
• 可旋转键数：
  7
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  358
• 氢给体数：
  8
• 氢受体数：
  18