2,16,23,29,33,42,43-Heptahydroxy-10,42-bis(hydroxymethyl)-40-methyl-33-[3-(3-methylbutan-2-yl)oxiran-2-yl]-15-(5-oxa-21-azapentacyclo[11.7.1.01,16.02,11.04,9]henicosa-7,9,14-trien-13-yl)spiro[3,4-dithia-20-azaundecacyclo[27.15.3.117,20.121,25.01,40.06,18.010,18.013,17.028,32.028,37.039,47]nonatetraconta-11,21,23,25(48),35,46-hexaene-41,1'-cyclopentane]-19,45-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: 2,16,23,29,33,42,43-Heptahydroxy-10,42-bis(hydroxymethyl)-40-methyl-33-[3-(3-methylbutan-2-yl)oxiran-2-yl]-15-(5-oxa-21-azapentacyclo[11.7.1.01,16.02,11.04,9]henicosa-7,9,14-trien-13-yl)spiro[3,4-dithia-20-azaundecacyclo[27.15.3.117,20.121,25.01,40.06,18.010,18.013,17.028,32.028,37.039,47]nonatetraconta-11,21,23,25(48),35,46-hexaene-41,1'-cyclopentane]-19,45-dione
• 英文别名: 2,16,23,29,33,42,43-heptahydroxy-10,42-bis(hydroxymethyl)-40-methyl-33-[3-(3-methylbutan-2-yl)oxiran-2-yl]-15-(5-oxa-21-azapentacyclo[11.7.1.01,16.02,11.04,9]henicosa-7,9,14-trien-13-yl)spiro[3,4-dithia-20-azaundecacyclo[27.15.3.117,20.121,25.01,40.06,18.010,18.013,17.028,32.028,37.039,47]nonatetraconta-11,21,23,25(48),35,46-hexaene-41,1'-cyclopentane]-19,45-dione
• 化学式: C₇₉H₁₀₄N₂O₁₃S₂
• 分子量: 1353.8
• InChiKey: HOKRCYRYSAVRDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  96
• 可旋转键数：
  6
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  304
• 氢给体数：
  10
• 氢受体数：
  16