1-[2-[2-[16,23,30,33-Tetrahydroxy-18-(2-hydroxy-2-methyliminoethyl)-35-[hydroxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,16,19(41),21,23,26(40),28,30,33,36(39)-heptadecaen-8-yl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboximidic 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: 1-[2-[2-[16,23,30,33-Tetrahydroxy-18-(2-hydroxy-2-methyliminoethyl)-35-[hydroxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,16,19(41),21,23,26(40),28,30,33,36(39)-heptadecaen-8-yl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboximidic acid
• 英文别名: 1-[2-[2-[16,23,30,33-tetrahydroxy-18-(2-hydroxy-2-methyliminoethyl)-35-[hydroxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,16,19(41),21,23,26(40),28,30,33,36(39)-heptadecaen-8-yl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboximidic acid
• 化学式: C₅₆H₅₃N₁₅O₁₀S₆
• 分子量: 1288.5
• InChiKey: GIVOHZKWHVHHNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  87
• 可旋转键数：
  11
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  524
• 氢给体数：
  7
• 氢受体数：
  24