[8-Amino-47-(dihydroxymethyl)-2,45,53-trihydroxyspiro[43-oxa-31,32-dithia-7,9,39,63-tetrazatetradecacyclo[34.19.4.333,38.221,27.138,42.144,48.01,6.010,22.010,30.012,16.012,24.018,23.022,27.050,58]hexahexaconta-4,7,17,25,44,46,48(60)-heptaen-34,56-diyne-13,1'-cyclopentane]-51-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: [8-Amino-47-(dihydroxymethyl)-2,45,53-trihydroxyspiro[43-oxa-31,32-dithia-7,9,39,63-tetrazatetradecacyclo[34.19.4.333,38.221,27.138,42.144,48.01,6.010,22.010,30.012,16.012,24.018,23.022,27.050,58]hexahexaconta-4,7,17,25,44,46,48(60)-heptaen-34,56-diyne-13,1'-cyclopentane]-51-yl] acetate
• 英文别名: [8-amino-47-(dihydroxymethyl)-2,45,53-trihydroxyspiro[43-oxa-31,32-dithia-7,9,39,63-tetrazatetradecacyclo[34.19.4.333,38.221,27.138,42.144,48.01,6.010,22.010,30.012,16.012,24.018,23.022,27.050,58]hexahexaconta-4,7,17,25,44,46,48(60)-heptaen-34,56-diyne-13,1'-cyclopentane]-51-yl] acetate
• 化学式: C₆₆H₈₅N₅O₈S₂
• 分子量: 1140.5
• InChiKey: XUUHZCQQDKAGPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  81
• 可旋转键数：
  3
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  262
• 氢给体数：
  9
• 氢受体数：
  13