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飞燕草素葡萄糖苷 | 6906-38-3

飞燕草素葡萄糖苷
Delphinidin 3-glucoside chloride
6906-38-3
C21H21ClO12
500.8372
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:飞燕草素葡萄糖苷结构式
329765166
简介
Delphinidin 3-glucoside chloride (Delphinidin 3-O-glucoside chloride) 是在 Hibiscus sabdariffa 提取物中发现的一种活性花色苷。Delphinidin 3-glucoside chloride 诱导 B 细胞慢性淋巴细胞性白血病 (B CLL) 的促凋亡作用。Delphinidin 3-glucoside chloride 通过结合 ERβ 发挥植物雌激素活性,IC50 为 9.7 μM。Delphinidin-3-O-glucoside chloride 抑制 EGFR,IC50 为 2.37 µM。
名称和标识符
MDL MFCD01762899
InChIKey ZJWIIMLSNZOCBP-BTTVDUMLSA-N
Inchi 1S/C21H20O12.ClH/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7;/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27);1H/t15-,17-,18+,19-,21-;/m1./s1
SMILES [Cl-].O1[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])([C@@]1([H])C([H])([H])O[H])O[H])O[H])O[H])OC1=C([H])C2=C(C([H])=C(C([H])=C2[O+]=C1C1C([H])=C(C(=C(C=1[H])O[H])O[H])O[H])O[H])O[H]
别名信息
- 中文别名 -
  • 飞燕草素葡萄糖苷
  • 氯化飞燕草素-3-O-葡萄糖苷
  • 翠素3-D葡萄糖苷
  • 飞燕草色素-3-O-葡萄糖苷氯化物(MYRTILLIN氯化物)(RG)
  • 飞燕草素-3-O-葡萄糖苷
  • 翠雀花素3-D-葡糖苷酸
  • 氯化花翠素葡萄糖苷
  • 氯化飞燕草素葡萄糖苷
- 英文别名 -
  • 1-Benzopyrylium, 3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-,chloride (1:1)
  • Delphinidin-3-O-glucoside
  • Delphinidin-3-O-glucoside chloride
  • 1-Benzopyrylium, 3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-,chloride ...
  • BROMODIPHENHYDRAMINE
  • Delphinidin 3-O-β-D-glucoside chloride
  • DELPHINIDIN 3-Β-D-GLUCOSIDE
  • Myrtillin
  • MYRTILLIN CHLORIDE
  • myrtillin-a
  • DELPHINIDIN-3-GLUCOSIDE
  • Delphinidin 3-O-β-D-glucopyranoside chloride
  • Delphinidin 3-monoglucoside
  • Delphinin chloride
  • 3,3',4',5,5',7'-Hexahydroxyflavylium chloride 3-glucoside
  • Delphinidin 3-Glucopyranoside
  • Delphinidin 3-O-
  • A-glucopyranoside chloride
  • Delphinidin-3-O-galactoside chloride
  • Delphinidin 3-D-galactoside
  • 2-[5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • 2-[5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • chloride
  • Mirtillin
  • Delphinidol 3-glucoside
  • DELPHINIDIN 3-GLUCOSIDE CHLORIDE
  • Delphinidin 3-D-Glucoside
  • 474A9U89JS
  • Delphinidin 3-O-glucoside chloride
  • delphinidin 3-O-beta-glucoside
  • Delphinidin 3-O-beta-glucopyranoside chloride
  • (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • chloride
  • Delphinidine 3-monoglucoside
  • Delphi
  • Myrtillin chloride
  • Delphinidin 3-glucoside chloride
  • 5,7-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-2-(3,4,5-trihydroxyphenyl)chromenylium chloride
  • Delphinidin 3-O-beta-D-glucopyranoside
  • 1-Benzopyrylium, 5,7-dihydroxy-3-(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)-, chloride
  • Delphinidin 3-glucoside (chloride)
  • Delphinidin 3-O-beta-D-glucoside chloride, analytical standard
  • 1-BENZOPYRYLIUM, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-, CHLORIDE (1:1)
  • DTXSID901028800
  • CS-0027237
  • AKOS030573521
  • Q945655
  • SCHEMBL675415
  • HY-108052
  • Delphinidin glucoside (chloride)
  • Delphinidin-3-O--D-glucoside (chloride)
  • Flavylium, 3-(beta-D-glucopyranosyloxy)-3',4',5,5',7-pentahydroxy-, chloride
  • DELPHINIDIN 3-O-GLUCOSIDE CHLORIDE [WHO-DD]
  • 1ST157006
  • 6906-38-3
  • Delphinidin 3- beta -D-Glucoside
  • MFCD01762899
  • Delphinidin 3-monoglucoside (chloride)
  • Delphinidin-3-glucoside chloride
  • Delphinin
  • Delphinidin-3-glucoside chloride , HPLC Grade
  • DELPHINIDIN 3-BETA-D-GLUCOSIDE
  • 5,7-Dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)chromenylium chloride
  • CHEBI:189576
  • 1-BENZOPYRYLIUM, 3-(beta-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-, CHLORIDE (1:1)
  • 5,7-Dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)chromenyliumchloride
  • UNII-474A9U89JS
  • Delphinidin 3-O-beta-D-glucoside chloride
  • 3,3',4',5,5',7-Hexahydroxyflavylium chloride, mono-beta-D-glucopyranoside
  • Delphinidin 3-O-glucoside
  • Empetrin chloride
  • Delphinidin 3-O-beta-D-galactopyranoside
  • Delphinidin 3-O-beta-D-glucoside
  • Empetrin
  • Delphinidin 3-glucoside
  • delfinidin 3-O-beta-D-glucoside
物化性质
实验特性
LogP -2.90840
PSA 213.67000
沸点 No data available
熔点 No data available
蒸气压 No data available
闪点 11 °C
颜色与性状 Powder
计算特性
精确分子量 500.07200
氢键供体数量 9
氢键受体数量 12
可旋转化学键数量 4
同位素质量 500.0721538 g/mol
重原子数量 34
复杂度 641
同位素原子数量 0
确定原子立构中心数量 5
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) -0.300000000000001
拓扑分子极性表面积 202
分子量 500.8
相关文献
专业数据库参考
PubChemId 329765166
参考资料
Beilstein MFCD01762899
化合物详情(旧版)

SMILES

[Cl-].OCC1[C@@H](O)C(O)[C@H](O)[C@@H](O1)OC2C(=[O+]C3C(=C(O)C=C(O)C=3)C=2)C4=CC(O)=C(O)C(O)=C4

扩展阅读
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