[40-(3-Cyclopentyl-3-oxopropyl)-11,16,63-trihydroxy-21-(hydroxymethyl)-46-(3-hydroxyphenyl)-69-methoxy-55-methyl-6-oxo-13-oxa-32,40,42,59-tetrazatetradecacyclo[45.8.6.29,12.220,23.114,18.123,26.126,29.129,36.141,45.01,51.08,32.031,35.034,39.057,61]heptaconta-9,11,14(68),15,17,31(35),33,36,38,41(62),44,51,53,57,60,69-hexadecaen-48-yn-4-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: [40-(3-Cyclopentyl-3-oxopropyl)-11,16,63-trihydroxy-21-(hydroxymethyl)-46-(3-hydroxyphenyl)-69-methoxy-55-methyl-6-oxo-13-oxa-32,40,42,59-tetrazatetradecacyclo[45.8.6.29,12.220,23.114,18.123,26.126,29.129,36.141,45.01,51.08,32.031,35.034,39.057,61]heptaconta-9,11,14(68),15,17,31(35),33,36,38,41(62),44,51,53,57,60,69-hexadecaen-48-yn-4-yl] acetate
• 英文别名: [40-(3-cyclopentyl-3-oxopropyl)-11,16,63-trihydroxy-21-(hydroxymethyl)-46-(3-hydroxyphenyl)-69-methoxy-55-methyl-6-oxo-13-oxa-32,40,42,59-tetrazatetradecacyclo[45.8.6.29,12.220,23.114,18.123,26.126,29.129,36.141,45.01,51.08,32.031,35.034,39.057,61]heptaconta-9,11,14(68),15,17,31(35),33,36,38,41(62),44,51,53,57,60,69-hexadecaen-48-yn-4-yl] acetate
• 化学式: C₈₄H₉₄N₄O₁₁
• 分子量: 1335.7
• InChiKey: IAFCQQFTWKRYNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.6
• 重原子数：
  99
• 可旋转键数：
  9
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  216
• 氢给体数：
  7
• 氢受体数：
  13