3-[5-(4-Carbamoyl-1,3-thiazol-2-yl)-4-hydroxy-29-(1-hydroxyethyl)-12-(hydroxymethyl)-26-(1-methoxyethylidene)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2,4,6,8,11(38),15,18(37),22,25(36),32-undecaen-19-yl]-2,3-dihydroxypropanoic 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: 3-[5-(4-Carbamoyl-1,3-thiazol-2-yl)-4-hydroxy-29-(1-hydroxyethyl)-12-(hydroxymethyl)-26-(1-methoxyethylidene)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2,4,6,8,11(38),15,18(37),22,25(36),32-undecaen-19-yl]-2,3-dihydroxypropanoic acid
• 英文别名: 3-[5-(4-carbamoyl-1,3-thiazol-2-yl)-4-hydroxy-29-(1-hydroxyethyl)-12-(hydroxymethyl)-26-(1-methoxyethylidene)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2,4,6,8,11(38),15,18(37),22,25(36),32-undecaen-19-yl]-2,3-dihydroxypropanoic acid
• 化学式: C₃₈H₃₅N₁₁O₁₃S₅
• 分子量: 1014.1
• InChiKey: JOFGHASJDDDCJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  67
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  526
• 氢给体数：
  11
• 氢受体数：
  24