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矢车菊素 3-槐糖甙 | 38820-68-7

矢车菊素 3-槐糖甙结构式图片|38820-68-7结构式图片
矢车菊素 3-槐糖甙
Cyanidin-3-O-sophoroside chloride
38820-68-7
C27H31O16
611.525449991226
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 3-槐糖甙结构式
20055085
名称和标识符
InChIKey QGIUAFMYHOHSFJ-UHFFFAOYSA-O
Inchi InChI=1S/C27H32O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,15,17-23,25-38H,7-8H2/p+1
SMILES C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O
别名信息
- 中文别名 -
  • 矢车菊-3-O-槐糖苷氯化物
  • 花青素-3-O-SOPHOROSIDE氯化物(AS)
  • 矢车菊素-3-O-槐糖苷氯化物
  • 矢车菊素-3-槐糖苷
  • 矢车菊素-3-槐糖苷标准品对照品
  • 矢车菊素 3-槐糖甙
- 英文别名 -
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-O-b-D-glucopyranosyl-a-D-glucopyranosyl) oxy]-5,7-dihydroxy-, chloride
  • Cyanidin 3-O-sophoroside chloride
  • 1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3-[(2-O-b-D-glucopyranosyl-a-D-glucopyranosyl)oxy]-5,7...
  • 1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3-[(2-O-b-D-glucopyranosyl-a-D-glucopyranosyl)oxy]-5,7-dihydroxy-, chloride
  • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 2-O-β-D-gluc opyranosyl-β-D-glucopyranoside
  • Cyanidin-3-O-sophoroside chloride
  • CYANIDIN-3-O-SOPHOROSIDE CHLORIDE(SH)
  • Cyanidin 3-sophoroside
  • 2-(3,4-Dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium chloride
  • 38820-68-7
  • Cyanidin-3-O-sophoroside
  • Cyanidin 3-O-sophoroside
  • (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • CHEBI:80438
  • Q23048908
物化性质
计算特性
精确分子量 611.16120990g/mol
氢键供体数量 11
氢键受体数量 15
可旋转化学键数量 7
同位素质量 611.16120990g/mol
重原子数量 43
复杂度 899
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 10
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) -1.852
拓扑分子极性表面积 260Ų
相关文献
  • 1. 352. Experiments on the synthesis of anthocyanins. Part XXIV. Cyanidin 3-biosides and a synthesis of mecocyanin
    K. E. Grove,Mototaro Inubuse,Robert Robinson J. Chem. Soc. 1934 1608
  • 2. CLVI.—A synthesis of pyrylium salts of anthocyanidin type. Part VI. Polyhydroxyflavylium salts related to chrysin, apigenin, lotoflavin, luteolin, galangin, fisetin, and morin
    David Doig Pratt,Robert Robinson J. Chem. Soc. Trans. 1925 127 1128
  • 3. CCCLXXII.—Experiments on the synthesis of anthocyanins. Part VI. A synthesis of chrysanthemin chloride
    Shinzo Murakami,Alexander Robertson,Robert Robinson J. Chem. Soc. 1931 2665
  • 4. CCXCIII.—A synthesis of pyrylium salts of anthocyanidin type. Part XIV
    Alexander Robertson,Robert Robinson J. Chem. Soc. 1927 2196
  • 5. Organic chemistry
    J. Chem. Soc. Abstr. 1917 112 i1
  • 6. CC.—A synthesis of pyrylium salts of anthocyanidin type. Part XV. The synthesis of cyanidin chloride by means of O-benzoylphloroglucinaldehyde
    Alexander Robertson,Robert Robinson J. Chem. Soc. 1928 1526
  • 7. Willst?tter memorial lecture
    Robert Robinson J. Chem. Soc. 1953 999
  • 8. CCCLXXIX.—Experiments on the synthesis of anthocyanins. Part XIII. 5-β-Grlucosidyl- and 5-lactosidyl-hirsutidin chlorides
    Leopold Ferdinand Levy,Robert Robinson J. Chem. Soc. 1931 2738
  • 9. CCLX.—A synthesis of pyrylium salts of anthocyanidin type. Part X. Delphinidin chloride 3-methyl ether
    Elisabeth Stewart Gatewood,Robert Robinson J. Chem. Soc. 1926 129 1959
  • 10. CCCLXXVIII.—Experiments on the synthesis of anthocyanins. Part XII. Fisetinidin and luteolinidin chlorides
    Andrés León,Robert Robinson J. Chem. Soc. 1931 2732
专业数据库参考
PubChemId 20055085
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