2”-O-Galloylhyperin - Moligand™, ≥98%(HPLC) , CAS No.53209-27-1

CAS: 53209-27-1 Cat. No.: O303910 分子式: C₂₈H₂₄O₁₆ 分子量: 616.48

グレード＆純度 Moligand™, ≥98%(HPLC)

Synonyms

HY-N0526 | AC-34477 | Quercetin 3-O-(2'-galloyl)-beta-D-galactopyranoside | CHEBI:190973 | MFCD07781428 | BDBM50478869 | [(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihy

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

仕様

同義語

HY-N0526 | AC-34477 | Quercetin 3-O-(2'-galloyl)-beta-D-galactopyranoside | CHEBI:190973 | MFCD07781428 | BDBM50478869 | [(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihy

仕様と純度

Moligand™, ≥98%(HPLC)

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

528757713

カノニカル・スマイル

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O

IUPAC Name

[(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

InChIKey

PXGWEUQZDRUMRE-UNZYZCBSSA-N

INCHI

1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21+,23+,26-,28+/m1/s1

異性体SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O

分子量

616.48

Reaxy-Rn

25324340

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25324340&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Flavonoids
      • Subclass Flavonoid glycosides
        • Level5 Flavonoid O-glycosides
          • Level6 Flavonoid-3-O-glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Flavonoid O-glycosides
• Direct Parent: Flavonoid-3-O-glycosides
• Alternative Parents: 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones Galloyl esters Hexoses p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Chromones O-glycosyl compounds Pyrogallols and derivatives Benzoyl derivatives Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Oxanes Heteroaromatic compounds Vinylogous acids Carboxylic acid esters Secondary alcohols Oxacyclic compounds Polyols Acetals Monocarboxylic acids and derivatives Organic oxides Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid-3-o-glycoside - Hydroxyflavonoid - Flavone - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Galloyl ester - Hexose monosaccharide - Gallic acid or derivatives - O-glycosyl compound - Glycosyl compound - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-hydroxybenzoic acid ester - Chromone - Benzoate ester - Benzopyran - 1-benzopyran - Benzenetriol - Benzoic acid or derivatives - Pyrogallol derivative - Benzoyl - Catechol - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Monosaccharide - Heteroaromatic compound - Vinylogous acid - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Acetal - Polyol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive
• 引火点（°C）: 365.6°C
• 沸点（°C）: 1106.9°C
• 分子量: 616.500 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 616.106 Da
• Monoisotopic Mass: 616.106 Da
• Topological Polar Surface Area: 273.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 1070.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1