Nobotanin E | 113866-94-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: Nobotanin E
• 英文别名: [(10R,11S,13R,14R,15S)-3,4,5,20,21,22-hexahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-14-yl] 2-[[(1R,2S,19R,20S,22R)-7-[6-[[(10R,11S,13R,14R,15S)-3,4,5,20,21,22-hexahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-14-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-8,9,12,13,14,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate
• CAS: 113866-94-7
• 化学式: C₁₂₃H₈₄O₇₈
• 分子量: 2809.9
• InChiKey: SZEKZKHKLROZHR-OCYWMNPBSA-N

物化性质

• 密度：
  2.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  201
• 可旋转键数：
  27
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  1310
• 氢给体数：
  43
• 氢受体数：
  78