[9a,10a,11a,12,13,14,15a,16a,17,18,19,31,32,33,37,38,51,52,53,56,57,58,70,71,72,76,77,90,91,92,95,96,97-Tritriacontahydroxy-a,2,6a,9,22,28,41,48,61,67,80,87-dodecaoxo-25,64-bis[(3,4,5-trihydroxybenzoyl)oxy]-1a,3,5,5a,8,13a,23,27,35,42,44,47,62,66,74,81,83,86-octadecaoxanonadecacyclo[112.3.1.136,40.175,79.04,26.06,24.010,15.016,21.029,34.043,65.045,63.049,54.055,60.068,73.082,104.084,102.088,93.094,99.0107,112]icosahecta-1(17a),7a(8a),9a(10a),10,11a(12a),12,14,14a(18a),15a(16a),16,18,19a(75),20,20a(36),29,31,33,37,39,49,51,53,55,57,59,68,70,72,76,78,88,90,92,94,96,98-hexatriacontaen-3a-yl] 3,4,5-trihydroxybenzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: [9a,10a,11a,12,13,14,15a,16a,17,18,19,31,32,33,37,38,51,52,53,56,57,58,70,71,72,76,77,90,91,92,95,96,97-Tritriacontahydroxy-a,2,6a,9,22,28,41,48,61,67,80,87-dodecaoxo-25,64-bis[(3,4,5-trihydroxybenzoyl)oxy]-1a,3,5,5a,8,13a,23,27,35,42,44,47,62,66,74,81,83,86-octadecaoxanonadecacyclo[112.3.1.136,40.175,79.04,26.06,24.010,15.016,21.029,34.043,65.045,63.049,54.055,60.068,73.082,104.084,102.088,93.094,99.0107,112]icosahecta-1(17a),7a(8a),9a(10a),10,11a(12a),12,14,14a(18a),15a(16a),16,18,19a(75),20,20a(36),29,31,33,37,39,49,51,53,55,57,59,68,70,72,76,78,88,90,92,94,96,98-hexatriacontaen-3a-yl] 3,4,5-trihydroxybenzoate
• 英文别名: [9a,10a,11a,12,13,14,15a,16a,17,18,19,31,32,33,37,38,51,52,53,56,57,58,70,71,72,76,77,90,91,92,95,96,97-tritriacontahydroxy-a,2,6a,9,22,28,41,48,61,67,80,87-dodecaoxo-25,64-bis[(3,4,5-trihydroxybenzoyl)oxy]-1a,3,5,5a,8,13a,23,27,35,42,44,47,62,66,74,81,83,86-octadecaoxanonadecacyclo[112.3.1.136,40.175,79.04,26.06,24.010,15.016,21.029,34.043,65.045,63.049,54.055,60.068,73.082,104.084,102.088,93.094,99.0107,112]icosahecta-1(17a),7a(8a),9a(10a),10,11a(12a),12,14,14a(18a),15a(16a),16,18,19a(75),20,20a(36),29,31,33,37,39,49,51,53,55,57,59,68,70,72,76,78,88,90,92,94,96,98-hexatriacontaen-3a-yl] 3,4,5-trihydroxybenzoate
• 化学式: C₁₂₃H₈₄O₇₈
• 分子量: 2809.9
• InChiKey: WTOFZTCSTAKVFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  201
• 可旋转键数：
  9
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  1300
• 氢给体数：
  42
• 氢受体数：
  78