2-[[[38-[[1,4-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-3-(4-hydroxyphenyl)propylidene]amino]ethylidene]amino]-4-iminobutylidene]amino]-2,5,8,13,20,29,32,39,42-nonahydroxy-31-(hydroxymethyl)-22-[(4-hydroxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)-7-(3-methoxy-3-oxopropyl)-37-methyl-41-(2-methylsulfanylethyl)-23,35-dioxo-36-oxa-3,6,9,14,21,24,30,33,40,43-decazatricyclo[17.14.10.024,28]tritetraconta-2,5,8,13,20,29,32,39,42-nonaen-10-yl]-hydroxymethylidene]amino]-3-(4-hydroxyphenyl)propanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 2-[[[38-[[1,4-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-3-(4-hydroxyphenyl)propylidene]amino]ethylidene]amino]-4-iminobutylidene]amino]-2,5,8,13,20,29,32,39,42-nonahydroxy-31-(hydroxymethyl)-22-[(4-hydroxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)-7-(3-methoxy-3-oxopropyl)-37-methyl-41-(2-methylsulfanylethyl)-23,35-dioxo-36-oxa-3,6,9,14,21,24,30,33,40,43-decazatricyclo[17.14.10.024,28]tritetraconta-2,5,8,13,20,29,32,39,42-nonaen-10-yl]-hydroxymethylidene]amino]-3-(4-hydroxyphenyl)propanoic acid
• 化学式: C₈₄H₁₀₇N₁₇O₂₆S
• 分子量: 1802.9
• InChiKey: YEJXJFKDCRKSRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  128
• 可旋转键数：
  28
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  683
• 氢给体数：
  21
• 氢受体数：
  27