6892-74-6 (3,7-Diglucosylquercetin,3,7-Diglucosylquercetin)

CAS号:
6892-74-6
中文名称:
3,7-Diglucosylquercetin
英文名称:
3,7-Diglucosylquercetin
分子式:
C27H30O17
分子量:
626.517

3,7-Diglucosylquercetin(6892-74-6)名称与标识符

名称

英文别名:
7-O-beta-D-Glucopyranoside-Hirsutrin;quercetin 3,7-di-beta-D;quercetin 3,7-di-O-beta-D-glucopyranoside;quercetin 3,7-di-O-glucoside;quercetin 3,7-O-beta-D-diglucopyranoside;quercetin 3,7-O-diglucoside;quercetin-3,7-diglucopyranoside;quercetin-3,7-di-O-beta-D-glucopyranoside;quercetin-3,7-di-O-glucoside;quercetin-3,7-O-diglucoside;quercetin-3-glucoside-7-glucoside;quercetin-3-O-beta-D-glucopyranoside-7-O-beta-D-glucopyranoside;quercetin-3-O-D-glucoside-7-O-D-glucoside;quercetin-3-O-glucoside-7-O-glucoside;Campanilosid;Quercetin 3-O-galactoside-7-O-galactoside;Quercetin-3,7-O-beta-diglucopyranoside;Quercetin 3,7-diglucoside;3,7-Diglucosylquercetin;Quercetin 3,7-O-beta-diglucopyranoside;Quercetin 3-galactoside-7-glucoside;AKOS040734507;QUERCETIN-3,7-O-.BETA.-DIGLUCOPYRANOSIDE;quercetin 3,7-di-O-beta-D-glucoside;DTXSID90218990;Qurcetin-3,7-diglucoside;FS-8479;6892-74-6;CHEBI:131497;2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one;UNII-S2L05XBF3A;S2L05XBF3A;DTXCID40141481;4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)-5-hydroxy-;Q27288498;FLAVONE, 3,3',4',5,7-PENTAHYDROXY-, 3,7-DI-.BETA.-D-GLUCOPYRANOSIDE;CS-0865436;HY-N11823;4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-3,7-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-;Flavone, 3,3',4',5,7-pentahydroxy-, 3,7-di-beta-D-glucopyranoside;CHEMBL591113;2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranoside;

标识符

InChIKey:
BNSCASRSSGJHQH-DEFKTLOSSA-N
Inchi:
1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1=C(C2C=CC(=C(C=2)O)O)OC2=CC(=CC(=C2C1=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

3,7-Diglucosylquercetin(6892-74-6)物化性质

计算特性

  • 精确分子量 : 626.14829948g/mol
  • 氢键供体数量 : 11
  • 氢键受体数量 : 17
  • 可旋转化学键数量 : 7
  • 同位素质量 : 626.14829948g/mol
  • 重原子数量 : 44
  • 复杂度 : 1040
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 10
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -1.4
  • 拓扑分子极性表面积 : 286Ų

3,7-Diglucosylquercetin(6892-74-6)合成路线

合成路线:1 步
反应条件:
参考文献:
Glycosylation and malonylation of quercetin, epicatechin, and catechin by cultured plant cells
Shimoda, Kei; Otsuka, Takanao; Morimoto, Yoko; Hamada, Hatsuyuki; Hamada, Hiroki, Chemistry Letters, 2007, 36(10), 1292-1293

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