Aloesin

Compound Structure:

Synonyms:

Aloesin;30861-27-9;Aloe resin B;Aloeresin;Y27M69Y8ES;CHEMBL5172191;4H-1-Benzopyran-4-one, 8-.beta.-D-glucopyranosyl-7-hydroxy-5-methyl-2-(2-oxopropyl)-

Compound ID:

NMPC-571

PubChem ID:

160190

Molecular Formula:

C19H22O9

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)O)O

InChIKey:

HKIKAXXIWJHWLY-ZIIYPAMZSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	394.4 g/mol
XLogP3-AA	-1.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	394.12638228 g/mol
Monoisotopic Mass	394.12638228 g/mol
Topological Polar Surface Area	154Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	647
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Landolphia owariensis

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