6-amino-2-[[[50-amino-10-benzyl-37-(carboxymethyl)-2,5,8,11,20,23,26,29,32,35,38,41,44,51,54,57-hexadecahydroxy-43-(2-hydroxy-2-iminoethyl)-56-(3-hydroxy-3-iminopropyl)-31-(hydroxymethyl)-28-(1H-indol-3-ylmethyl)-47,62-dimethyl-7-methylidene-22-(2-methylpropyl)-14-oxo-53-propan-2-yl-48,60,63-trithia-3,6,9,12,15,21,24,27,30,33,36,39,42,45,52,55,58-heptadecazatetracyclo[32.24.3.34,25.015,19]tetrahexaconta-2,5,8,11,20,23,26,29,32,35,38,41,44,51,54,57-hexadecaen-46-yl]-hydroxymethylidene]amino]hexanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 6-amino-2-[[[50-amino-10-benzyl-37-(carboxymethyl)-2,5,8,11,20,23,26,29,32,35,38,41,44,51,54,57-hexadecahydroxy-43-(2-hydroxy-2-iminoethyl)-56-(3-hydroxy-3-iminopropyl)-31-(hydroxymethyl)-28-(1H-indol-3-ylmethyl)-47,62-dimethyl-7-methylidene-22-(2-methylpropyl)-14-oxo-53-propan-2-yl-48,60,63-trithia-3,6,9,12,15,21,24,27,30,33,36,39,42,45,52,55,58-heptadecazatetracyclo[32.24.3.34,25.015,19]tetrahexaconta-2,5,8,11,20,23,26,29,32,35,38,41,44,51,54,57-hexadecaen-46-yl]-hydroxymethylidene]amino]hexanoic acid
• 化学式: C₈₅H₁₂₁N₂₃O₂₅S₃
• 分子量: 1961.2
• InChiKey: DEEOVDONDDERBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.9
• 重原子数：
  136
• 可旋转键数：
  22
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  840
• 氢给体数：
  25
• 氢受体数：
  30