baohuoside VII - ≥95% , CAS No.119730-89-1

CAS: 119730-89-1 Cat. No.: B1041561 PubChem CID: 5492427

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

CC1C(C(C(C(O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O)O)OC5C(C(C(C(O5)CO)O)O)O

IUPAC Name

3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

InChIKey

VCWUZNQATFVWGL-ITFJRHMYSA-N

INCHI

1S/C33H40O15/c1-13(2)5-10-17-18(35)11-19(36)21-23(38)31(29(46-30(17)21)15-6-8-16(43-4)9-7-15)48-32-27(42)25(40)28(14(3)44-32)47-33-26(41)24(39)22(37)20(12-34)45-33/h5-9,11,14,20,22,24-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22+,24-,25-,26+,27+,28-,32-,33-/m0/s1

Isómeros SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

CAS alternativo

119730-89-1

PubChem CID

5492427

Términos de entrada MeSH

3,5,7-(trihydroxy)-4'-methoxyl-8-prenylflavone-3-O-rhamnopyranosyl(4--1)-glucopyranoside;baohuoside VII

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Flavonoid O-glycosides
• Direct Parent: Flavonoid-3-O-glycosides
• Alternative Parents: 8-prenylated flavones 4'-O-methylated flavonoids 7-hydroxyflavonoids 5-hydroxyflavonoids O-glycosyl compounds Disaccharides Chromones Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Oxanes Vinylogous acids Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid-3-o-glycoside - 8-prenylated flavone - 4p-methoxyflavonoid-skeleton - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Chromone - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Pyranone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyran - Oxane - Monocyclic benzene moiety - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Ether - Organoheterocyclic compound - Acetal - Polyol - Oxacycle - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 676.700 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 9
• Exact Mass: 676.237 Da
• Monoisotopic Mass: 676.237 Da
• Topological Polar Surface Area: 234.000 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 1170.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 119730-89-1. InChIKey VCWUZNQATFVWGL-ITFJRHMYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.