4-[(Diaminomethylideneamino)methyl]-6-[5,6-dihydroxy-2-[4-hydroxy-2-[19-(methylamino)-14-(5-methylcyclohex-2-en-1-yl)-3-pentacyclo[13.3.1.02,11.05,10.013,18]nonadeca-3,5,7,9,16-pentaenyl]phenyl]-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 4-[(Diaminomethylideneamino)methyl]-6-[5,6-dihydroxy-2-[4-hydroxy-2-[19-(methylamino)-14-(5-methylcyclohex-2-en-1-yl)-3-pentacyclo[13.3.1.02,11.05,10.013,18]nonadeca-3,5,7,9,16-pentaenyl]phenyl]-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• 英文别名: 4-[(diaminomethylideneamino)methyl]-6-[5,6-dihydroxy-2-[4-hydroxy-2-[19-(methylamino)-14-(5-methylcyclohex-2-en-1-yl)-3-pentacyclo[13.3.1.02,11.05,10.013,18]nonadeca-3,5,7,9,16-pentaenyl]phenyl]-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• 化学式: C₅₀H₅₄N₄O₁₂
• 分子量: 903.0
• InChiKey: DGUAAZNXXYHIPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  66
• 可旋转键数：
  9
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  280
• 氢给体数：
  10
• 氢受体数：
  14