3-[5-[4-[(3-Amino-3-oxoprop-1-en-2-yl)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-[5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-3-hydroxypropanoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-[5-[4-[(3-Amino-3-oxoprop-1-en-2-yl)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-[5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-3-hydroxypropanoic acid
• 英文别名: 3-[5-[4-[(3-amino-3-oxoprop-1-en-2-yl)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-[5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-3-hydroxypropanoic acid
• 化学式: C₅₀H₅₅N₁₃O₁₆S₅
• 分子量: 1254.4
• InChiKey: MVHBCLZSBYPNKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  84
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  577
• 氢给体数：
  12
• 氢受体数：
  28