2,2',17,23,27,36,37-Heptahydroxy-10,36-bis(hydroxymethyl)-34-methyl-27-[3-(3-methylbutan-2-yl)oxiran-2-yl]-3'-spiro[2,5a,6,7,8,9a,10,10a-octahydropyrano[3,2-g]isoquinoline-9,1'-cyclohexane]-7-ylspiro[3,4-dithia-14-azanonacyclo[21.15.3.111,14.115,19.01,34.06,11.022,26.022,31.033,41]tritetraconta-15,17,19(42),29,40-pentaene-12,1'-cyclopentane]-39,43-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: 2,2',17,23,27,36,37-Heptahydroxy-10,36-bis(hydroxymethyl)-34-methyl-27-[3-(3-methylbutan-2-yl)oxiran-2-yl]-3'-spiro[2,5a,6,7,8,9a,10,10a-octahydropyrano[3,2-g]isoquinoline-9,1'-cyclohexane]-7-ylspiro[3,4-dithia-14-azanonacyclo[21.15.3.111,14.115,19.01,34.06,11.022,26.022,31.033,41]tritetraconta-15,17,19(42),29,40-pentaene-12,1'-cyclopentane]-39,43-dione
• 英文别名: 2,2',17,23,27,36,37-heptahydroxy-10,36-bis(hydroxymethyl)-34-methyl-27-[3-(3-methylbutan-2-yl)oxiran-2-yl]-3'-spiro[2,5a,6,7,8,9a,10,10a-octahydropyrano[3,2-g]isoquinoline-9,1'-cyclohexane]-7-ylspiro[3,4-dithia-14-azanonacyclo[21.15.3.111,14.115,19.01,34.06,11.022,26.022,31.033,41]tritetraconta-15,17,19(42),29,40-pentaene-12,1'-cyclopentane]-39,43-dione
• 化学式: C₇₁H₉₈N₂O₁₃S₂
• 分子量: 1251.7
• InChiKey: FLVWOTLXUSXJCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  88
• 可旋转键数：
  6
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  304
• 氢给体数：
  10
• 氢受体数：
  16