20-[3-(3-Amino-2,4,5,6-tetrahydroxyphenyl)-2,4,5,6-tetrahydroxyphenyl]-24-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-24-azahexacyclo[12.12.0.02,11.05,10.016,25.018,23]hexacosa-1(26),2(11),3,5(10),6,8,12,14,16(25),18(23),19,21-dodecaene-3,4,6,7,8,9,12,13,15,19,21,22,26-tridecol

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 20-[3-(3-Amino-2,4,5,6-tetrahydroxyphenyl)-2,4,5,6-tetrahydroxyphenyl]-24-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-24-azahexacyclo[12.12.0.02,11.05,10.016,25.018,23]hexacosa-1(26),2(11),3,5(10),6,8,12,14,16(25),18(23),19,21-dodecaene-3,4,6,7,8,9,12,13,15,19,21,22,26-tridecol
• 英文别名: 20-[3-(3-amino-2,4,5,6-tetrahydroxyphenyl)-2,4,5,6-tetrahydroxyphenyl]-24-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-24-azahexacyclo[12.12.0.02,11.05,10.016,25.018,23]hexacosa-1(26),2(11),3,5(10),6,8,12,14,16(25),18(23),19,21-dodecaene-3,4,6,7,8,9,12,13,15,19,21,22,26-tridecol
• 化学式: C₄₉H₃₄N₂O₃₀
• 分子量: 1130.8
• InChiKey: ADBXITWLQFTZIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  81
• 可旋转键数：
  4
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.02
• 拓扑面积：
  636
• 氢给体数：
  31
• 氢受体数：
  32