14,23,40,45,50,76-Hexahydroxy-35-(2-hydroxyethyl)-34-(3-hydroxypropyl)-49-(2-methylpropyl)-72,74-dioxa-18,19,63,64,68,69-hexathia-59-azaheptadecacyclo[45.13.6.48,60.212,15.224,39.13,7.18,11.117,26.128,32.142,46.153,57.017,29.027,38.051,66.058,62.036,75.043,73]octaconta-3(80),4,6,9,12,14,27(38),28,30,32(75),36,39(73),40,42,45,47(66),48,50,53(71),54,56,77-docosaene-44,79-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: 14,23,40,45,50,76-Hexahydroxy-35-(2-hydroxyethyl)-34-(3-hydroxypropyl)-49-(2-methylpropyl)-72,74-dioxa-18,19,63,64,68,69-hexathia-59-azaheptadecacyclo[45.13.6.48,60.212,15.224,39.13,7.18,11.117,26.128,32.142,46.153,57.017,29.027,38.051,66.058,62.036,75.043,73]octaconta-3(80),4,6,9,12,14,27(38),28,30,32(75),36,39(73),40,42,45,47(66),48,50,53(71),54,56,77-docosaene-44,79-dione
• 英文别名: 14,23,40,45,50,76-hexahydroxy-35-(2-hydroxyethyl)-34-(3-hydroxypropyl)-49-(2-methylpropyl)-72,74-dioxa-18,19,63,64,68,69-hexathia-59-azaheptadecacyclo[45.13.6.48,60.212,15.224,39.13,7.18,11.117,26.128,32.142,46.153,57.017,29.027,38.051,66.058,62.036,75.043,73]octaconta-3(80),4,6,9,12,14,27(38),28,30,32(75),36,39(73),40,42,45,47(66),48,50,53(71),54,56,77-docosaene-44,79-dione
• 化学式: C₈₀H₈₁NO₁₂S₆
• 分子量: 1440.9
• InChiKey: UQMLBKVXUVTVHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  99
• 可旋转键数：
  7
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  378
• 氢给体数：
  9
• 氢受体数：
  19