2-[27'-(Diaminomethylideneamino)-13'-(3,4-dihydronaphthalen-2-yl)-14',31',32',35',42'-pentahydroxy-7',11',43'-trimethyl-8',39'-dioxospiro[cyclopentane-1,36'-dodecacyclo[21.18.1.11,24.07,12.011,40.014,41.016,42.018,22.021,31.024,33.027,32.038,43]tritetraconta-15,18(22),20,25,40-pentaen-4-yne]-30'-ylidene]propanoic acid

• 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-[27'-(Diaminomethylideneamino)-13'-(3,4-dihydronaphthalen-2-yl)-14',31',32',35',42'-pentahydroxy-7',11',43'-trimethyl-8',39'-dioxospiro[cyclopentane-1,36'-dodecacyclo[21.18.1.11,24.07,12.011,40.014,41.016,42.018,22.021,31.024,33.027,32.038,43]tritetraconta-15,18(22),20,25,40-pentaen-4-yne]-30'-ylidene]propanoic acid
• 英文别名: 2-[27'-(diaminomethylideneamino)-13'-(3,4-dihydronaphthalen-2-yl)-14',31',32',35',42'-pentahydroxy-7',11',43'-trimethyl-8',39'-dioxospiro[cyclopentane-1,36'-dodecacyclo[21.18.1.11,24.07,12.011,40.014,41.016,42.018,22.021,31.024,33.027,32.038,43]tritetraconta-15,18(22),20,25,40-pentaen-4-yne]-30'-ylidene]propanoic acid
• 化学式: C₆₄H₇₁N₃O₉
• 分子量: 1026.3
• InChiKey: ZDAJTWTYJQNSEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  76
• 可旋转键数：
  3
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  237
• 氢给体数：
  8
• 氢受体数：
  10