[46-Amino-9-benzyl-5,34-dihydroxy-65-(hydroxymethyl)-32-methoxy-66-(methoxymethyl)spiro[7,25-dioxa-10,11-dithia-2,18,47-triazapentadecacyclo[52.10.2.14,51.113,17.124,27.126,30.138,41.142,58.06,22.08,19.031,36.043,48.056,61.023,68.038,70]doheptaconta-4(68),5,20,22,26,28,30(70),31(36),32,34,43(48),44,56(61),57,59-pentadecaen-49,52-diyne-67,1'-cyclohexane]-71-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: [46-Amino-9-benzyl-5,34-dihydroxy-65-(hydroxymethyl)-32-methoxy-66-(methoxymethyl)spiro[7,25-dioxa-10,11-dithia-2,18,47-triazapentadecacyclo[52.10.2.14,51.113,17.124,27.126,30.138,41.142,58.06,22.08,19.031,36.043,48.056,61.023,68.038,70]doheptaconta-4(68),5,20,22,26,28,30(70),31(36),32,34,43(48),44,56(61),57,59-pentadecaen-49,52-diyne-67,1'-cyclohexane]-71-yl]methyl acetate
• 英文别名: [46-amino-9-benzyl-5,34-dihydroxy-65-(hydroxymethyl)-32-methoxy-66-(methoxymethyl)spiro[7,25-dioxa-10,11-dithia-2,18,47-triazapentadecacyclo[52.10.2.14,51.113,17.124,27.126,30.138,41.142,58.06,22.08,19.031,36.043,48.056,61.023,68.038,70]doheptaconta-4(68),5,20,22,26,28,30(70),31(36),32,34,43(48),44,56(61),57,59-pentadecaen-49,52-diyne-67,1'-cyclohexane]-71-yl]methyl acetate
• 化学式: C₈₄H₉₄N₄O₉S₂
• 分子量: 1367.8
• InChiKey: WQVQJIJSOTXCIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.1
• 重原子数：
  99
• 可旋转键数：
  9
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  237
• 氢给体数：
  7
• 氢受体数：
  15