79-(Diaminomethyl)-11,19,41,60-tetrahydroxy-47-(hydroxymethyl)spiro[13-oxa-37,38,43,44-tetrathia-27-azahexadecacyclo[40.29.2.232,35.256,70.12,40.12,41.18,12.116,20.159,66.021,33.024,28.046,56.048,53.055,70.060,69.061,65]dooctaconta-3,8(82),9,11,16(81),17,19,24(28),25,32,34,48,50,52,72,74,79-heptadecaen-30-yne-64,1'-cyclopentane]-5,23-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: 79-(Diaminomethyl)-11,19,41,60-tetrahydroxy-47-(hydroxymethyl)spiro[13-oxa-37,38,43,44-tetrathia-27-azahexadecacyclo[40.29.2.232,35.256,70.12,40.12,41.18,12.116,20.159,66.021,33.024,28.046,56.048,53.055,70.060,69.061,65]dooctaconta-3,8(82),9,11,16(81),17,19,24(28),25,32,34,48,50,52,72,74,79-heptadecaen-30-yne-64,1'-cyclopentane]-5,23-dione
• 英文别名: 79-(diaminomethyl)-11,19,41,60-tetrahydroxy-47-(hydroxymethyl)spiro[13-oxa-37,38,43,44-tetrathia-27-azahexadecacyclo[40.29.2.232,35.256,70.12,40.12,41.18,12.116,20.159,66.021,33.024,28.046,56.048,53.055,70.060,69.061,65]dooctaconta-3,8(82),9,11,16(81),17,19,24(28),25,32,34,48,50,52,72,74,79-heptadecaen-30-yne-64,1'-cyclopentane]-5,23-dione
• 化学式: C₈₂H₉₃N₃O₈S₄
• 分子量: 1376.9
• InChiKey: PMFCGFCTLYVLBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.9
• 重原子数：
  97
• 可旋转键数：
  2
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  314
• 氢给体数：
  8
• 氢受体数：
  14