 Home > Encyclopedia > [6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate structure

CAS No:
94535-60-1
Formula:
C39H32O15
Chemical Name:
[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Synonyms:
Astragalin-2',4'-di-p-coumaroil; Kaempferol-2,4-dicoumaroyl-3-O-glucoside; KDCG;

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Description

2'',4''-Bis-O-(4-hydroxycinnamoyl)astragalin is a glycoside and a member of flavonoids.

[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate Basic Attributes

Molecular Weight：

740.66200

Exact Mass：

740.17412031

Characteristics

PSA：

242.88000

XLogP3：

3.69530

Density：

1.63g/cm3

Boiling Point：

1006.8ºC at 760mmHg

Flash Point：

314.2ºC

Refractive Index：

1.751

Drug Information

MeSH Entry Terms：

astragalin-2'',4''-di-p-coumaroil

Computed Properties

Molecular Weight:740.7
XLogP3:4.8
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:12
Exact Mass:740.17412031
Monoisotopic Mass:740.17412031
Topological Polar Surface Area:239
Heavy Atom Count:54
Complexity:1390
Undefined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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