12-(4-O-Methyl-beta-D-glucopyranosyl)-6,7,12,13-tetrahydro-5-oxo(5H)indolo[2,3-a]pyrrolo[3,4-c]carbazole & 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: 12-(4-O-Methyl-beta-D-glucopyranosyl)-6,7,12,13-tetrahydro-5-oxo(5H)indolo[2,3-a]pyrrolo[3,4-c]carbazole & 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: 3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one;23-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
• 化学式: C52H46N6O12
• 分子量: 947.0
• InChiKey: WKPQUIPYXRKORE-QKNJGIDNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  70
• 可旋转键数：
  4
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  280
• 氢给体数：
  12
• 氢受体数：
  12