28-(Ethylaminomethyl)-8,9,10,18-tetrahydroxy-34,35-dimethoxy-32-(methylaminomethyl)-12,37,40,42-tetraoxa-3-azadecacyclo[27.10.1.17,11.123,27.02,13.04,11.015,39.016,21.030,38.031,36]dotetraconta-1(39),2(13),5,14,16(21),17,19,23(41),24,26,31(36),32,34-tridecaene-7-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 28-(Ethylaminomethyl)-8,9,10,18-tetrahydroxy-34,35-dimethoxy-32-(methylaminomethyl)-12,37,40,42-tetraoxa-3-azadecacyclo[27.10.1.17,11.123,27.02,13.04,11.015,39.016,21.030,38.031,36]dotetraconta-1(39),2(13),5,14,16(21),17,19,23(41),24,26,31(36),32,34-tridecaene-7-carboxylic acid
• 英文别名: 28-(ethylaminomethyl)-8,9,10,18-tetrahydroxy-34,35-dimethoxy-32-(methylaminomethyl)-12,37,40,42-tetraoxa-3-azadecacyclo[27.10.1.17,11.123,27.02,13.04,11.015,39.016,21.030,38.031,36]dotetraconta-1(39),2(13),5,14,16(21),17,19,23(41),24,26,31(36),32,34-tridecaene-7-carboxylic acid
• 化学式: C₄₅H₄₇N₃O₁₂
• 分子量: 821.9
• InChiKey: ATCOCOMPKILUJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  60
• 可旋转键数：
  8
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  210
• 氢给体数：
  8
• 氢受体数：
  15