21,30,47,52,57,79-Hexahydroxy-42-(2-hydroxyethyl)-41-(3-hydroxypropyl)-56-(2-methylpropyl)-75,77-dioxa-25,26,70,71-tetrathia-66-azaheptadecacyclo[52.13.6.231,46.13,7.118,22.124,33.135,39.149,53.160,64.010,15.010,19.024,36.034,45.058,73.065,69.043,78.050,76]henoctaconta-3(81),4,6,16,18,20,22(80),34(45),35,37,39(78),43,46(76),47,49,52,54(73),55,57,60(74),61,63-docosaene-9,51-dione

• 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: 21,30,47,52,57,79-Hexahydroxy-42-(2-hydroxyethyl)-41-(3-hydroxypropyl)-56-(2-methylpropyl)-75,77-dioxa-25,26,70,71-tetrathia-66-azaheptadecacyclo[52.13.6.231,46.13,7.118,22.124,33.135,39.149,53.160,64.010,15.010,19.024,36.034,45.058,73.065,69.043,78.050,76]henoctaconta-3(81),4,6,16,18,20,22(80),34(45),35,37,39(78),43,46(76),47,49,52,54(73),55,57,60(74),61,63-docosaene-9,51-dione
• 英文别名: 21,30,47,52,57,79-hexahydroxy-42-(2-hydroxyethyl)-41-(3-hydroxypropyl)-56-(2-methylpropyl)-75,77-dioxa-25,26,70,71-tetrathia-66-azaheptadecacyclo[52.13.6.231,46.13,7.118,22.124,33.135,39.149,53.160,64.010,15.010,19.024,36.034,45.058,73.065,69.043,78.050,76]henoctaconta-3(81),4,6,16,18,20,22(80),34(45),35,37,39(78),43,46(76),47,49,52,54(73),55,57,60(74),61,63-docosaene-9,51-dione
• 化学式: C₈₃H₈₇NO₁₂S₄
• 分子量: 1418.8
• InChiKey: FAFSGJZHAAZQKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.6
• 重原子数：
  100
• 可旋转键数：
  7
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  328
• 氢给体数：
  9
• 氢受体数：
  17