30311-61-6 (槲皮素-3-芸香糖苷-7-葡萄糖苷,4H-1-Benzopyran-4-one,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(b-D-glucopyranosyloxy)-5-hydroxy-)

CAS号:
30311-61-6
中文名称:
槲皮素-3-芸香糖苷-7-葡萄糖苷
英文名称:
4H-1-Benzopyran-4-one,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(b-D-glucopyranosyloxy)-5-hydroxy-
分子式:
C33H40O21
分子量:
772.65811252594

槲皮素-3-芸香糖苷-7-葡萄糖苷(30311-61-6)名称与标识符

名称

中文别名:
槲皮素-3-芸香糖苷7 -葡萄糖苷;槲皮素-3-芸香糖苷-7-葡萄糖苷;
英文别名:
4H-1-Benzopyran-4-one,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(b-D-glucopyranosyloxy)-5-hydroxy-;2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyme;Quercetin 3-O-rutinoside-7-O-glucoside;Flavone,3,3',4',5,7-pentahydroxy-, 3-[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranoside] 7-b-D-glucopyranoside (8CI);Quercetin 3-rhamnoglucoside 7-b-glucoside;Quercetin 3-rhamnoglucoside 7-glucoside;Quercetin 3-rutinoside-7-glucoside;Quercetin-3-O-rutinoside-7-O-glucose;3,3′,4′,5,7-Pentahydroxyflavone 3-rutinoside 7-glucoside;3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one;2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;Quercetin 3- O- rutinoside- 7- O- glucoside;30311-61-6;AKOS040735111;HY-N10407;CS-0527737;FS-6826;Quercetin 3-O-rutinoside-7-O-glucoside, tentative;Quercetin 3-rutinoside 7-glucoside (Morkotin A);Quercetin 3-rhamnoglucoside 7-beta-glucoside;Flavone, 3,3',4',5,7-pentahydroxy-, 3-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside) 7-beta-D-glucopyranoside;XQ172648;DTXSID10184406;2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one;Quercetin 3-rutinoside 7-glucoside;DA-57298;

标识符

InChIKey:
SPUFXPFDJYNCFD-YQJBXTIASA-N
Inchi:
1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O)O)O)OC1C(C2C(=CC(=CC=2OC=1C1C=CC(=C(C=1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)=O

槲皮素-3-芸香糖苷-7-葡萄糖苷(30311-61-6)物化性质

实验特性

  • 沸点 : 1145.0±65.0 °C(Predicted)
  • 密度 : 1.84±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 772.20620828g/mol
  • 氢键供体数量 : 13
  • 氢键受体数量 : 21
  • 可旋转化学键数量 : 9
  • 同位素质量 : 772.20620828g/mol
  • 重原子数量 : 54
  • 复杂度 : 1320
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 15
  • 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) : -3.1
  • 拓扑分子极性表面积 : 345Ų

槲皮素-3-芸香糖苷-7-葡萄糖苷(30311-61-6)安全信息

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