 Home > Encyclopedia > 2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→6)-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→6)-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→6)-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one structure

CAS No:
134953-93-8
Formula:
C33H40O21
Chemical Name:
2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→6)-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
Synonyms:
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→6)-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-;2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→6)-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one;Quercetin 3-O-β-D-glucosyl-(1→3)-α-L-rhamnosyl-(1→6)-β-D-galactoside;713489-06-6

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2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→6)-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one Basic Attributes

Molecular Weight：

772.65800

Exact Mass：

772.66

Characteristics

PSA：

348.58000

XLogP3：

-3.86290

Density：

1.84g/cm3

Boiling Point：

1149.1ºC at 760mmHg

Flash Point：

360.2ºC

Refractive Index：

1.759

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH Entry Terms：

quercetin 3-glucosyl(1-3)rhamnosyl(1-6)galactoside

Computed Properties

Molecular Weight:772.7
XLogP3:-2.9
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:21
Rotatable Bond Count:9
Exact Mass:772.20620828
Monoisotopic Mass:772.20620828
Topological Polar Surface Area:345
Heavy Atom Count:54
Complexity:1320
Defined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→6)-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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