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矢车菊素芸香糖苷 | 18719-76-1

矢车菊素芸香糖苷
Keracyanin chloride
18719-76-1
C27H31ClO15
630.9790
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:矢车菊素芸香糖苷结构式
329755348
简介
Keracyanin chloride (Cyanidin 3-rutinoside chloride),一种花青素,具有抗氧化活性。Keracyanin chloride 抑制氧化的小牛胸腺 DNA 中丙二醛的形成。
名称和标识符
MDL MFCD00135404
InChIKey ADZHXBNWNZIHIX-XYGAWYNKSA-N
Inchi 1S/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1
SMILES [Cl-].O1[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])([C@@]1([H])C([H])([H])O[C@@]1([H])[C@@]([H])([C@@]([H])([C@]([H])([C@]([H])(C([H])([H])[H])O1)O[H])O[H])O[H])O[H])O[H])O[H])OC1=C([H])C2=C(C([H])=C(C([H])=C2[O+]=C1C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])O[H])O[H]
别名信息
- 中文别名 -
  • 矢车菊素芸香糖苷
  • 矢车菊素-3-O-芸香糖苷
  • 花青素鼠李葡糖苷
  • 氯化花青素鼠李葡糖苷(AS)
  • 氯化失车菊素-3-O-芸香糖苷
  • 矢车菊素-3-O-芸香糖苷 标准品
  • 矢车菊素-3-芸香糖苷氯化 物
  • 凯拉花青
  • 矢车菊-3-O-芸香糖苷氯化物
  • 氯化凯拉花青
  • 氯化花青素鼠李葡糖苷
  • 氯化花青素鼠李葡萄糖苷
  • 花青素鼠李葡糖苷/矢车菊素芸香糖苷
  • 矢车菊素-3-鼠李糖苷
- 英文别名 -
  • 1-Benzopyrylium,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-,chloride (1:1)
  • Cyanidin-3-O-Rutinoside
  • (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol,chloride
  • 1-Benzopyrylium,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyp...
  • Cyanidin 3-O-Rutinoside
  • Keracyanin (chloride)
  • KERACYANIN CHLORIDE
  • KERACYANIN CHLORIDE(AS)
  • cyanidin 3-rhamnoglucoside
  • cyanidin-3-O-rhamnoglucoside
  • Keraciannai
  • Keracyanine
  • Keracyaninum
  • antirrhinin
  • cyanidin 3-rhamnosylglucoside
  • cyanidin 3-rutinoside
  • cyanidin-3-rhamnoglucoside chloride
  • cyanidine 3-rutinoside
  • cyanidol 3-rhamnoglucoside
  • cyaninoside
  • prunicyanin
  • rutinosyl-3-cyanidine
  • sambucin
  • Keracyanin
  • cyanidin-3-O-rut
  • cyanidin3-rutinoside
  • cyanidine3-rutinoside
  • Cyanidin-3-Rutinoside
  • Keracyanin [INN:DCF]
  • cyanidin 3-O-rutinoside chloride
  • Keracyaninum [INN-Latin]
  • Keracyanine [INN-French]
  • Keraciannai [INN-Spanish]
  • Meralop
  • V0N2VMB
  • Cyanidin 3-rutinoside chloride
  • Cyanidin 3-O-rutinoside chloride
  • Sambucin chloride
  • Keracyanin chloride
  • Sambucin
  • V0N2VMB4FV
  • KERACYANINCHLORIDE
  • Cyanidine 3-rutinoside
  • E80656
  • D08097
  • CCRIS 1960
  • 1-Benzopyrylium, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride
  • Meralop (TN)
  • NS00100421
  • UNII-V0N2VMB4FV
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chloride
  • CHEBI:16726
  • 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyran osyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1- benzopyrylium, chloride
  • Cyanidin 3-rhamnoglucoside
  • Q3814728
  • (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
  • chloride
  • Cyanidin-3-rhamnoglucoside chloride
  • DTXSID00927864
  • W-110485
  • KERACYANIN [MART.]
  • Antirrhinin
  • 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-3',4',5,7-TETRAHYDROXYFLAVYLIUM CHLORIDE
  • Anthocyanin a2
  • 18719-76-1
  • cyaninoside chloride
  • KERACYANIN [INN]
  • Keracyanin chloride (INN)
  • KERACYANIN (MART.)
  • Cyanidin 3-O-Rutinoside (75%)
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)chromenylium chloride
  • Cyanidol 3-rhamnoglucoside
  • Keracyanine chloride, HPLC Grade
  • CHEMBL592218
  • EINECS 242-528-6
  • Cyanidin 3-rutinoside
  • Rutinosyl-3-cyanidine
  • MFCD00135404
  • C04491
  • 3-O-Rutinosylcyanidin
  • CYANIDIN CHLORIDE 3-RHAMNOGLUCOSIDE [MI]
  • CS-0026976
  • SCHEMBL161440
  • Cyanidin 3-rutinoside (chloride)
  • Cyanidin 3-O-rutinoside (chloride)
  • Sambucin (chloride)
  • Cyanidin 3-rhamnosylglucoside
  • Prunicyanin
  • cyanidin chloride 3-rhamnoglucoside
  • KERACYANIN
  • 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-3',4',5,7-tetrahydroxyflavylium chloride
  • AKOS030573634
  • AS-76553
  • HY-105935
  • KERACYANIN [WHO-DD]
  • cyanidin-3-O-rutinoside
  • Meralops
  • 1-Benzopyrylium,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-,chloride(1:1)
  • Cyaninoside
  • keracianina
  • 7,4'-Dihydroxyflavilium Chloride
  • Cyanidin-3-O-rutinoside chloride
  • 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyran osyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium, chloride
  • 1ST40263
  • cyanidin 3-O-(6''-O-alpha-rhamnopyranosyl-beta-glucopyranoside)
  • Cyanidin 3-O-rhamnosylglucoside
  • Cyanidin 3-O-rutinoside
物化性质
实验特性
LogP -3.76220
PSA 252.36000
沸点 No data available
熔点 No data available
蒸气压 No data available
闪点 No data available
颜色与性状 Powder
计算特性
精确分子量 630.13500
氢键供体数量 10
氢键受体数量 15
可旋转化学键数量 6
同位素质量 630.1351480 g/mol
重原子数量 43
复杂度 883
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 2
疏水参数计算参考值(XlogP)
互变异构体数量 171
表面电荷 0
拓扑分子极性表面积 240
分子量 631.0
国际标准相关数据
EINECS 1960
相关文献
专业数据库参考
PubChemId 329755348
参考资料
Beilstein 242-528-6
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