[30-Amino-9-benzyl-5,51,59-trihydroxy-49-(hydroxymethoxy)-73-(hydroxymethyl)-72-(methoxymethyl)-7,41-dioxa-10,11-dithia-2,18,29-triazaoctadecacyclo[66.5.3.225,71.113,17.135,38.165,69.04,24.06,22.08,19.023,42.028,33.034,64.035,57.038,54.039,47.040,44.048,53.059,64]henoctaconta-4(24),5,20,22,28(33),31,39(47),40(44),45,48(53),49,51,57,65(79),66,68-hexadecaen-26,77-diyn-43-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: [30-Amino-9-benzyl-5,51,59-trihydroxy-49-(hydroxymethoxy)-73-(hydroxymethyl)-72-(methoxymethyl)-7,41-dioxa-10,11-dithia-2,18,29-triazaoctadecacyclo[66.5.3.225,71.113,17.135,38.165,69.04,24.06,22.08,19.023,42.028,33.034,64.035,57.038,54.039,47.040,44.048,53.059,64]henoctaconta-4(24),5,20,22,28(33),31,39(47),40(44),45,48(53),49,51,57,65(79),66,68-hexadecaen-26,77-diyn-43-yl]methyl acetate
• 英文别名: [30-amino-9-benzyl-5,51,59-trihydroxy-49-(hydroxymethoxy)-73-(hydroxymethyl)-72-(methoxymethyl)-7,41-dioxa-10,11-dithia-2,18,29-triazaoctadecacyclo[66.5.3.225,71.113,17.135,38.165,69.04,24.06,22.08,19.023,42.028,33.034,64.035,57.038,54.039,47.040,44.048,53.059,64]henoctaconta-4(24),5,20,22,28(33),31,39(47),40(44),45,48(53),49,51,57,65(79),66,68-hexadecaen-26,77-diyn-43-yl]methyl acetate
• 化学式: C₈₈H₉₆N₄O₁₁S₂
• 分子量: 1449.9
• InChiKey: AWDHXCXQCOTFLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  105
• 可旋转键数：
  10
• 环数：
  19.0
• 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