3-(4-Amino-5-hydroxy-4,6-dimethyloxan-2-yl)-23-(2-amino-2-oxoethyl)-6,16-dichloro-49-[3-[4-[[4-(4-chlorophenyl)phenyl]methylamino]-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-33,36,38-trihydroxy-20-[[4-methyl-2-(methylamino)pentanoyl]amino]-21,24,27,43,45-pentaoxo-8,14-dioxa-22,25,28,42,44-pentazanonacyclo[27.14.2.24,7.215,18.19,13.130,34.01,3.011,26.035,40]henpentaconta-4,6,9,11,13(49),15,17,30(46),31,33,35(40),36,38,47,50-pentadecaene-41-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: 3-(4-Amino-5-hydroxy-4,6-dimethyloxan-2-yl)-23-(2-amino-2-oxoethyl)-6,16-dichloro-49-[3-[4-[[4-(4-chlorophenyl)phenyl]methylamino]-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-33,36,38-trihydroxy-20-[[4-methyl-2-(methylamino)pentanoyl]amino]-21,24,27,43,45-pentaoxo-8,14-dioxa-22,25,28,42,44-pentazanonacyclo[27.14.2.24,7.215,18.19,13.130,34.01,3.011,26.035,40]henpentaconta-4,6,9,11,13(49),15,17,30(46),31,33,35(40),36,38,47,50-pentadecaene-41-carboxylic acid
• 英文别名: 3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)-23-(2-amino-2-oxoethyl)-6,16-dichloro-49-[3-[4-[[4-(4-chlorophenyl)phenyl]methylamino]-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-33,36,38-trihydroxy-20-[[4-methyl-2-(methylamino)pentanoyl]amino]-21,24,27,43,45-pentaoxo-8,14-dioxa-22,25,28,42,44-pentazanonacyclo[27.14.2.24,7.215,18.19,13.130,34.01,3.011,26.035,40]henpentaconta-4,6,9,11,13(49),15,17,30(46),31,33,35(40),36,38,47,50-pentadecaene-41-carboxylic acid
• 化学式: C₈₆H₉₅Cl₃N₁₀O₂₃
• 分子量: 1743.1
• InChiKey: RGYWPMDAEPGWTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  122
• 可旋转键数：
  18
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  511
• 氢给体数：
  18
• 氢受体数：
  26