Quercetin 3-O-β-D-glucose-7-O-β-D-gentiobioside - 10mM in DMSO , CAS No.60778-02-1

CAS: 60778-02-1 Cat. No.: Q425031 Molecular Weight: 788.66 PubChem CID: 131637041

GRADE & PURITY 10mM in DMSO

Synonyms

Quercetin 3-O-β-D-glucose-7-O-β-D-gentiobiosiden | Quercetin-3-O-beta-D-glucose-7-O-beta-D-gentiobioside4H-​1-​Benzopyran-​4-​one,2-​(3,​4-​dihydroxyphenyl)​-​7-​[(6-​O-​β-​D-​glucopyranosyl-​β-​D-​glucopyranosyl)​oxy]​-​3-​(β-​D-​glucopyranosyloxy)​-​5-​

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Quercetin 3-O-β-D-glucose-7-O-β-D-gentiobioside (Quercetin 3-O-β-D-glucose-7-O-β-D-gentiobiosiden, Quercetin-3-O-beta-D-glucose-7-O-beta-D-gentiobioside) is an active constituent ofDescurainiae Semen.

Specifications

Synonyms

Quercetin 3-O-β-D-glucose-7-O-β-D-gentiobiosiden | Quercetin-3-O-beta-D-glucose-7-O-beta-D-gentiobioside4H-​1-​Benzopyran-​4-​one, 2-​(3, ​4-​dihydroxyphenyl)​-​7-​[(6-​O-​β-​D-​glucopyranosyl-​β-​D-​glucopyranosyl)​oxy]​-​3-​(β-​D-​glucopyranosyloxy)​-​5-​

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Quercetin 3-O-β-D-glucose-7-O-β-D-gentiobioside (Quercetin 3-O-β-D-glucose-7-O-β-D-gentiobiosiden, Quercetin-3-O-beta-D-glucose-7-O-beta-D-gentiobioside) is an active constituent of Descurainiae Semen.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
• InChIKey: VUTMUSRYWYUQIK-GZIDCZEMSA-N
• INCHI: 1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-8-17-21(41)25(45)27(47)32(54-17)50-10-4-13(38)18-14(5-10)51-29(9-1-2-11(36)12(37)3-9)30(22(18)42)55-33-28(48)24(44)20(40)16(7-35)53-33/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,28-,31-,32-,33+/m1/s1
• PubChem CID: 131637041
• Molecular Weight: 788.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Flavonoids
      • Subclass Flavonoid glycosides
        • Level5 Flavonoid O-glycosides
          • Level6 Flavonoid-7-O-glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Flavonoid O-glycosides
• Direct Parent: Flavonoid-7-O-glycosides
• Alternative Parents: Flavonoid-3-O-glycosides Flavones 5-hydroxyflavonoids 4'-hydroxyflavonoids 3'-hydroxyflavonoids Phenolic glycosides O-glycosyl compounds Disaccharides Chromones Catechols Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid-7-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - Flavone - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3'-hydroxyflavonoid - Phenolic glycoside - O-glycosyl compound - Glycosyl compound - Disaccharide - Chromone - 1-benzopyran - Benzopyran - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - Benzenoid - Pyran - Oxane - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-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

Chemical and Physical Properties

• Molecular Weight: 788.700 g/mol
• XLogP3: -3.600
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 10
• Exact Mass: 788.201 Da
• Monoisotopic Mass: 788.201 Da
• Topological Polar Surface Area: 365.000 Ų
• Heavy Atom Count: 55
• Formal Charge: 0
• Complexity: 1340.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 15
• 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