1,11-Dichloro-12-(4-O-methyl-beta-D-glucopyranosyl)-6,7,12,13-tetrahydro-5-oxo(5H)indolo[2,3-a]pyrrolo[3,4-c]carbazole & 1,11-Dichloro-12-(4-O-methyl-beta-D-glucopyranosyl)-6,7,12,13-tetrahydro-7-oxo(7H)indolo[2,3-a]pyrrolo[3,4-c]carbazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1,11-Dichloro-12-(4-O-methyl-beta-D-glucopyranosyl)-6,7,12,13-tetrahydro-5-oxo(5H)indolo[2,3-a]pyrrolo[3,4-c]carbazole & 1,11-Dichloro-12-(4-O-methyl-beta-D-glucopyranosyl)-6,7,12,13-tetrahydro-7-oxo(7H)indolo[2,3-a]pyrrolo[3,4-c]carbazole
• 英文别名: 5,21-dichloro-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one;5,21-dichloro-23-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one
• 化学式: C54H46Cl4N6O12
• 分子量: 1112.8
• InChiKey: PTBOLXNOYGZEMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.21
• 重原子数：
  76
• 可旋转键数：
  6
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  258
• 氢给体数：
  10
• 氢受体数：
  12