[30-Amino-9,22-dihydroxy-5,25-bis(hydroxymethyl)-13-methyl-14-[(7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)methyl]-7-oxo-4,12-dioxa-29-azaheptacyclo[14.9.6.210,13.02,11.03,8.019,24.026,31]tritriaconta-2(11),3(8),5,9,19(24),20,22,26(31),27,29-decaen-32-yl] 2-(hydroxymethyl)but-2-enoate

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: [30-Amino-9,22-dihydroxy-5,25-bis(hydroxymethyl)-13-methyl-14-[(7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)methyl]-7-oxo-4,12-dioxa-29-azaheptacyclo[14.9.6.210,13.02,11.03,8.019,24.026,31]tritriaconta-2(11),3(8),5,9,19(24),20,22,26(31),27,29-decaen-32-yl] 2-(hydroxymethyl)but-2-enoate
• 英文别名: [30-amino-9,22-dihydroxy-5,25-bis(hydroxymethyl)-13-methyl-14-[(7-methyl-7,8-dihydro-1,8-naphthyridin-3-yl)methyl]-7-oxo-4,12-dioxa-29-azaheptacyclo[14.9.6.210,13.02,11.03,8.019,24.026,31]tritriaconta-2(11),3(8),5,9,19(24),20,22,26(31),27,29-decaen-32-yl] 2-(hydroxymethyl)but-2-enoate
• 化学式: C₄₈H₅₀N₄O₁₀
• 分子量: 842.9
• InChiKey: HLKZKLUWXXISOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  62
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  227
• 氢给体数：
  7
• 氢受体数：
  14