[42-Amino-63-benzyl-41-ethyl-13,21,67-trihydroxy-23-(hydroxymethoxy)-72-(hydroxymethyl)-73-(methoxymethyl)-31,65-dioxa-61,62-dithia-43,54,70-triazaheptadecacyclo[45.26.2.13,7.134,37.155,59.08,13.08,38.015,37.018,34.019,24.025,33.028,32.030,49.039,44.048,68.050,66.053,64]octaheptaconta-3(78),4,6,14,19(24),20,22,25(33),26,28(32),39(44),40,48(68),49,51,66-hexadecaen-45,74-diyn-29-yl]methyl 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: [42-Amino-63-benzyl-41-ethyl-13,21,67-trihydroxy-23-(hydroxymethoxy)-72-(hydroxymethyl)-73-(methoxymethyl)-31,65-dioxa-61,62-dithia-43,54,70-triazaheptadecacyclo[45.26.2.13,7.134,37.155,59.08,13.08,38.015,37.018,34.019,24.025,33.028,32.030,49.039,44.048,68.050,66.053,64]octaheptaconta-3(78),4,6,14,19(24),20,22,25(33),26,28(32),39(44),40,48(68),49,51,66-hexadecaen-45,74-diyn-29-yl]methyl acetate
• 英文别名: [42-amino-63-benzyl-41-ethyl-13,21,67-trihydroxy-23-(hydroxymethoxy)-72-(hydroxymethyl)-73-(methoxymethyl)-31,65-dioxa-61,62-dithia-43,54,70-triazaheptadecacyclo[45.26.2.13,7.134,37.155,59.08,13.08,38.015,37.018,34.019,24.025,33.028,32.030,49.039,44.048,68.050,66.053,64]octaheptaconta-3(78),4,6,14,19(24),20,22,25(33),26,28(32),39(44),40,48(68),49,51,66-hexadecaen-45,74-diyn-29-yl]methyl acetate
• 化学式: C₈₇H₉₆N₄O₁₁S₂
• 分子量: 1437.8
• InChiKey: GVIPVQXSLQJUHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  104
• 可旋转键数：
  11
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  277
• 氢给体数：
  9
• 氢受体数：
  17