44-amino-31-[carboxy(hydroxy)methyl]-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-heptadecahydroxy-37,50-bis(2-hydroxy-2-iminoethyl)-25-(hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-41,47,70-trimethyl-16-(2-methylpropyl)-8-oxo-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecazapentacyclo[38.18.9.319,56.328,53.09,13]triheptaconta-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,66-heptadecaene-65-carboxylic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 44-amino-31-[carboxy(hydroxy)methyl]-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-heptadecahydroxy-37,50-bis(2-hydroxy-2-iminoethyl)-25-(hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-41,47,70-trimethyl-16-(2-methylpropyl)-8-oxo-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecazapentacyclo[38.18.9.319,56.328,53.09,13]triheptaconta-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,66-heptadecaene-65-carboxylic acid
• 化学式: C₈₂H₁₁₅N₂₃O₂₇S₃
• 分子量: 1951.1
• InChiKey: KRKLISUEFJLJGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.9
• 重原子数：
  135
• 可旋转键数：
  14
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  866
• 氢给体数：
  27
• 氢受体数：
  32