[12,17,66-Trihydroxy-22-(hydroxymethyl)-47-(3-hydroxyphenyl)-72-methoxy-7-oxo-41-(3-oxobutyl)-14-oxa-33,41,43,51-tetrazapentadecacyclo[46.13.3.210,13.221,24.115,19.124,27.127,30.130,37.142,46.02,54.02,58.09,33.032,36.035,40.049,53]triheptaconta-1(61),10,12,15(71),16,18,32(36),34,37,39,42(65),45,49,52,55,59,72-heptadecaen-63-yn-5-yl] acetate

• 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: [12,17,66-Trihydroxy-22-(hydroxymethyl)-47-(3-hydroxyphenyl)-72-methoxy-7-oxo-41-(3-oxobutyl)-14-oxa-33,41,43,51-tetrazapentadecacyclo[46.13.3.210,13.221,24.115,19.124,27.127,30.130,37.142,46.02,54.02,58.09,33.032,36.035,40.049,53]triheptaconta-1(61),10,12,15(71),16,18,32(36),34,37,39,42(65),45,49,52,55,59,72-heptadecaen-63-yn-5-yl] acetate
• 英文别名: [12,17,66-trihydroxy-22-(hydroxymethyl)-47-(3-hydroxyphenyl)-72-methoxy-7-oxo-41-(3-oxobutyl)-14-oxa-33,41,43,51-tetrazapentadecacyclo[46.13.3.210,13.221,24.115,19.124,27.127,30.130,37.142,46.02,54.02,58.09,33.032,36.035,40.049,53]triheptaconta-1(61),10,12,15(71),16,18,32(36),34,37,39,42(65),45,49,52,55,59,72-heptadecaen-63-yn-5-yl] acetate
• 化学式: C₈₂H₈₈N₄O₁₁
• 分子量: 1305.6
• InChiKey: LXNFSRDRQYQFFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.2
• 重原子数：
  97
• 可旋转键数：
  8
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  216
• 氢给体数：
  7
• 氢受体数：
  13