Methyl 22-amino-2-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-5-chloro-64-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-21,26,35,38,44,49,54,56,59-nonahydroxy-30-methyl-31,47-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14(63),15,17(62),20,23(61),24,26,29,31,33(60),35,38,41(57),42,44,46(51),47,49,53,55,58,65-heptacosaene-52-carboxylate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Methyl 22-amino-2-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-5-chloro-64-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-21,26,35,38,44,49,54,56,59-nonahydroxy-30-methyl-31,47-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14(63),15,17(62),20,23(61),24,26,29,31,33(60),35,38,41(57),42,44,46(51),47,49,53,55,58,65-heptacosaene-52-carboxylate
• 英文别名: methyl 22-amino-2-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-5-chloro-64-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-21,26,35,38,44,49,54,56,59-nonahydroxy-30-methyl-31,47-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14(63),15,17(62),20,23(61),24,26,29,31,33(60),35,38,41(57),42,44,46(51),47,49,53,55,58,65-heptacosaene-52-carboxylate
• 化学式: C₉₀H₁₀₁ClN₈O₄₀
• 分子量: 1970.2
• InChiKey: KKOJGZMZOGVJLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  139
• 可旋转键数：
  16
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  778
• 氢给体数：
  27
• 氢受体数：
  48