42,62-Di(ethylidene)-13,28,34,37,40,49,53,60,63-nonahydroxy-36-(1-hydroxyethyl)-55-(2-hydroxy-2-iminoethyl)-33,51-dimethyl-15-methylidene-43-oxo-6,10,17,21,25,32,57-heptathia-14,29,35,38,41,44,50,54,61,64,65,66,67,68,69,70,71-heptadecazadecacyclo[31.19.12.14,52.15,8.19,12.116,19.120,23.124,27.156,59.044,48]henheptaconta-1(52),2,4(66),5(71),7,9(70),13,16(69),18,20(68),22,24(67),28,34,37,40,49,53,56(65),60,63-henicosaene-30-carboxylic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 42,62-Di(ethylidene)-13,28,34,37,40,49,53,60,63-nonahydroxy-36-(1-hydroxyethyl)-55-(2-hydroxy-2-iminoethyl)-33,51-dimethyl-15-methylidene-43-oxo-6,10,17,21,25,32,57-heptathia-14,29,35,38,41,44,50,54,61,64,65,66,67,68,69,70,71-heptadecazadecacyclo[31.19.12.14,52.15,8.19,12.116,19.120,23.124,27.156,59.044,48]henheptaconta-1(52),2,4(66),5(71),7,9(70),13,16(69),18,20(68),22,24(67),28,34,37,40,49,53,56(65),60,63-henicosaene-30-carboxylic acid
• 英文别名: 42,62-di(ethylidene)-13,28,34,37,40,49,53,60,63-nonahydroxy-36-(1-hydroxyethyl)-55-(2-hydroxy-2-iminoethyl)-33,51-dimethyl-15-methylidene-43-oxo-6,10,17,21,25,32,57-heptathia-14,29,35,38,41,44,50,54,61,64,65,66,67,68,69,70,71-heptadecazadecacyclo[31.19.12.14,52.15,8.19,12.116,19.120,23.124,27.156,59.044,48]henheptaconta-1(52),2,4(66),5(71),7,9(70),13,16(69),18,20(68),22,24(67),28,34,37,40,49,53,56(65),60,63-henicosaene-30-carboxylic acid
• 化学式: C₅₉H₆₄N₁₈O₁₄S₇
• 分子量: 1473.7
• InChiKey: OGUUCNCVZHZWGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  98
• 可旋转键数：
  4
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  657
• 氢给体数：
  12
• 氢受体数：
  28