35-(Dihydroxymethyl)-16,23,40,56,75,76-hexahydroxy-36-[(3-hydroxyphenyl)methyl]-22-methoxy-60-methyl-45,47,58,63-tetrazapentadecacyclo[40.28.3.348,54.28,64.213,26.12,5.19,14.133,37.03,69.011,41.020,25.027,32.046,73.061,65.051,77]trioctaconta-20,22,24,27,29,31,42,46(73),48(78),49,51(77),52,54(76),61,64,69-hexadecaen-38,66,71,80-tetrayne-15,17-dione

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 35-(Dihydroxymethyl)-16,23,40,56,75,76-hexahydroxy-36-[(3-hydroxyphenyl)methyl]-22-methoxy-60-methyl-45,47,58,63-tetrazapentadecacyclo[40.28.3.348,54.28,64.213,26.12,5.19,14.133,37.03,69.011,41.020,25.027,32.046,73.061,65.051,77]trioctaconta-20,22,24,27,29,31,42,46(73),48(78),49,51(77),52,54(76),61,64,69-hexadecaen-38,66,71,80-tetrayne-15,17-dione
• 英文别名: 35-(dihydroxymethyl)-16,23,40,56,75,76-hexahydroxy-36-[(3-hydroxyphenyl)methyl]-22-methoxy-60-methyl-45,47,58,63-tetrazapentadecacyclo[40.28.3.348,54.28,64.213,26.12,5.19,14.133,37.03,69.011,41.020,25.027,32.046,73.061,65.051,77]trioctaconta-20,22,24,27,29,31,42,46(73),48(78),49,51(77),52,54(76),61,64,69-hexadecaen-38,66,71,80-tetrayne-15,17-dione
• 化学式: C₈₉H₉₄N₄O₁₂
• 分子量: 1411.7
• InChiKey: JKKMTVMRROMLGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  105
• 可旋转键数：
  4
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  277
• 氢给体数：
  13
• 氢受体数：
  15