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Chrysophanein

Chrysophanein structure

CAS No:
4839-60-5
Formula:
C21H20O9
Chemical Name:
Chrysophanein
Synonyms:
9,10-Anthracenedione,1-(β-D-glucopyranosyloxy)-8-hydroxy-3-methyl-;Chrysophanein;Glucopyranoside,8-hydroxy-3-methyl-1-anthraquinonyl,β-D-;1-(β-D-Glucopyranosyloxy)-8-hydroxy-3-methyl-9,10-anthracenedione;Chrysophaneine;Chrysophanol 1-O-β-D-glucopyranoside;1-O-β-D-Glucopyranosylchrysophanol;Chrysophanol 1-O-glucoside;1329-09-5;862252-97-9
Categories:
Organic Chemistry > Aldehydes

Description

Chrysophanein is a chrysophanol glycoside from leaves and roots of Aloe hijazensis. Chrysophanein shows a moderate cytotoxic activity against several carcinoma cells lines[1].

Chrysophanein Basic Attributes

Molecular Weight：

416.37800

Exact Mass：

416.38

Characteristics

PSA：

153.75000

XLogP3：

1.3

Density：

1.596±0.06 g/cm3 (20 ºC 760 Torr)

Melting Point：

245-246 °C

Computed Properties

Molecular Weight:416.4
XLogP3:1.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:416.11073221
Monoisotopic Mass:416.11073221
Topological Polar Surface Area:154
Heavy Atom Count:30
Complexity:669
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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