47-Benzyl-16,17,22,38,63-pentahydroxy-48-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[67-azaoctadecacyclo[57.2.2.239,52.125,43.153,57.02,10.04,8.08,13.010,27.011,20.014,19.020,25.021,44.022,51.028,61.032,36.036,55.039,54]heptahexaconta-2,14,16,18,28(61),53,55,57(64),59,65-decaen-29,40,45-triyne-35,1'-cyclopentane]-50-one

• 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: 47-Benzyl-16,17,22,38,63-pentahydroxy-48-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[67-azaoctadecacyclo[57.2.2.239,52.125,43.153,57.02,10.04,8.08,13.010,27.011,20.014,19.020,25.021,44.022,51.028,61.032,36.036,55.039,54]heptahexaconta-2,14,16,18,28(61),53,55,57(64),59,65-decaen-29,40,45-triyne-35,1'-cyclopentane]-50-one
• 英文别名: 47-benzyl-16,17,22,38,63-pentahydroxy-48-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[67-azaoctadecacyclo[57.2.2.239,52.125,43.153,57.02,10.04,8.08,13.010,27.011,20.014,19.020,25.021,44.022,51.028,61.032,36.036,55.039,54]heptahexaconta-2,14,16,18,28(61),53,55,57(64),59,65-decaen-29,40,45-triyne-35,1'-cyclopentane]-50-one
• 化学式: C₈₅H₈₅NO₉
• 分子量: 1264.6
• InChiKey: ZYIDCFOGUIBJKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  95
• 可旋转键数：
  5
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  180
• 氢给体数：
  8
• 氢受体数：
  10