33012-73-6 (氯化接骨木花色素甙,Cyanidin 3-sambubioside chloride)

CAS号:
33012-73-6
中文名称:
氯化接骨木花色素甙
英文名称:
Cyanidin 3-sambubioside chloride
分子式:
C26H29ClO15
分子量:
616.952468633652
简介:
Cyanidin 3-sambubioside chloride (Cyanidin-3-O-sambubioside chloride),一种主要的花色苷,一种天然着色剂,是一种有效的 NO 抑制剂。Cyanidin 3-sambubioside chloride 是 H274Y 突变抑制剂,可抑制流感神经氨酸酶 (neuraminidase) 活性,IC50 为 72 μM。Cyanidin 3-sambubioside chloride 抑制血管紧张素转换酶 (ACE) 的活性,并具有抗氧化,抗血管生成和抗病毒特性。

氯化接骨木花色素甙(33012-73-6)名称与标识符

名称

中文别名:
矢车菊素-3-桑布双糖苷;氯化矢车菊素-3-桑布双糖苷;氯化失车菊素-3-O-桑布双糖苷;丰索磷氧化砜;氯化花青素-3-桑布双糖苷;矢车菊素-3-O-桑布双糖苷氯化物;矢车菊素-3-桑布双糖苷氯化物;氯化接骨木花色素甙;
英文别名:
1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, chloride (1:1);Cyanidin-3-O-sambubioside chloride;(2S,3R,4S,5R)-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]oxyoxane-3,4,5-triol,chloride;Cyanidin 3-Sambubioside;CYANIDIN-3-O-SAMBUBIOSIDE CHLORIDE(AS);CYANIDIN-3-O-SAMBUBIOSIDE(SH);cyanidin 3-O-beta-D-sambubioside;cyanidin-3-O-sambubioside;Cyanidin-3-sambubioside;Sambicyanin;Cyanidin 3-(2-O-xylosylglucoside) chloride;Cyanidin 3-O-(2-O-β-D-xylopyranosyl)-β-D-glucopyranoside chloride;Sambicyanin chloride;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-1-benzopyrylium chloride;Cyanidine 3-sambubioside;Cyanidin 3-O-(2-O-beta-xylopyranosyl)-beta-glucopyranoside; Cyanidin 3-sambuboside;Cyanidin 3-sambubioside chloride;CYANIDIN 3-O-(2-O-.BETA.-XYLOPYRANOSYL)-.BETA.-GLUCOPYRANOSIDE;cyanidin 3-O-(2-O-xylopyranosylglycopyranoside);Q9333097;FLAVYLIUM, 4',5,5',7-TETRAHYDROXY-3-((2-O-beta-D-XYLOPYRANOSYL-beta-D-GLUCOPYRANOSYL)OXY)-, CHLORIDE;33012-73-6;(2S,3R,4S,5R)-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]oxyoxane-3,4,5-triol;chloride;3-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium chloride;CYANIDIN 3-O-SAMBUBIOSIDE CHLORIDE;CS-0022804;HY-N2533;3,5,7,3',4'-Pentahydroxyflavylium-3-O-beta-D-xylopyranosyl-(1-2)-beta-D-glucopyranoside;1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-((2-O-beta-D-XYLOPYRANOSYL-beta-D-GLUCOPYRANOSYL)OXY)-, CHLORIDE (1:1);CYANIDIN 3-O-(2-O-beta-XYLOPYRANOSYL)-beta-GLUCOPYRANOSIDE;1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-((2-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, CHLORIDE (1:1);1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, chloride;UNII-4BIT5WSL15;FLAVYLIUM, 4',5,5',7-TETRAHYDROXY-3-((2-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, CHLORIDE;AKOS030573597;MS-30754;Cyanidin 3-sambubioside (chloride);DTXSID30954628;4BIT5WSL15;PD164898;PD161371;Cyanidin 3-xyloglucoside;Cyanidin 3-O-xylosyl-glucoside;FT-0777282;Cyanidine-3-O-sambubioside;Sambucicyanin;3-{[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-{[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYOXAN-2-YL]OXY}OXAN-2-YL]OXY}-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-1??-CHROMEN-1-YLIUM CHLORIDE;DA-72451;G16169;

标识符

InChIKey:
BWHXEGJOYVNGQH-XOBUMVIESA-N
Inchi:
1S/C26H28O15.ClH/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9;/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31);1H/t15-,18-,19+,20-,21+,22-,24-,25+,26-;/m1./s1
SMILES:
[Cl-].O([C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)[C@H]1[C@H](OC2=CC3C(=CC(=CC=3[O+]=C2C2C=CC(=C(C=2)O)O)O)O)O[C@H](CO)[C@H]([C@@H]1O)O

氯化接骨木花色素甙(33012-73-6)物化性质

实验特性

  • LogP : -4.15070
  • PSA : 252.36000
  • 颜色与性状 : Powder

计算特性

  • 精确分子量 : 616.11900
  • 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 : 616.119498
  • 重原子数量 : 42
  • 复杂度 : 852
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 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
  • 拓扑分子极性表面积 : 240
  • 分子量 : 616.9

氯化接骨木花色素甙(33012-73-6)安全信息

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