2-[[17-ethylidene-12,15,22,29,36,39-hexahydroxy-14-(1-hydroxyethyl)-31-methyl-38,41-dimethylidene-43,48-dioxa-9,46,47-trithia-3,13,16,19,23,26,30,33,37,40,45,49-dodecazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatetraconta-1(44),2(7),3,5,8(49),10,12,15,18,20,22,25,27,29,32,34,36,39,42(45)-nonadecaene-4-carbonyl]amino]prop-2-enimidic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 2-[[17-ethylidene-12,15,22,29,36,39-hexahydroxy-14-(1-hydroxyethyl)-31-methyl-38,41-dimethylidene-43,48-dioxa-9,46,47-trithia-3,13,16,19,23,26,30,33,37,40,45,49-dodecazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatetraconta-1(44),2(7),3,5,8(49),10,12,15,18,20,22,25,27,29,32,34,36,39,42(45)-nonadecaene-4-carbonyl]amino]prop-2-enimidic acid
• 化学式: C₄₃H₃₈N₁₄O₁₁S₃
• 分子量: 1023.1
• InChiKey: XCZCYMWDHUIDCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  71
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  455
• 氢给体数：
  9
• 氢受体数：
  20