(3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,35S)-3-[(2S,3S,4S,5R,6R)-4-[[(E)-N'-[3-(dimethylamino)propyl]-N-ethyl-carbamimidoyl]amino]-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,29,32,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,35S)-3-[(2S,3S,4S,5R,6R)-4-[[(E)-N'-[3-(dimethylamino)propyl]-N-ethyl-carbamimidoyl]amino]-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,29,32,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid
• 英文别名: (1S,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R)-33-[(2S,3S,4S,5R,6R)-4-[[N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidoyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
• 化学式: C₅₅H₉₀N₄O₁₇
• 分子量: 1079.3
• InChiKey: ULJPJEIXJLBKTH-LRVDGNEZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  76
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  333
• 氢给体数：
  13
• 氢受体数：
  19