Sakuranin

Sakuranin
Compound Structure:
Synonyms: SAKURANIN ;529-39-5 ;NSC 407308 ;59YX7QWM4S ;CHEBI:81054
Compound ID: NMPC-1461
PubChem ID:

73607

Molecular Formula: C22H24O10
Canonical SMILES: COC1=CC2=C(C(=O)CC(O2)C3=CC=C(C=C3)O)C(=C1)OC4C(C(C(C(O4)CO)O)O)O
InChIKey: NEPMMBQHELYZIW-YMTXFHFDSA-N
About the compound:

Sakuranin is a flavanone glycoside that is sakuranetin attached to a beta-D-glucopyranosyl residue at position 5 via a glycosidic linkage. It has a role as a plant metabolite and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is a flavanone glycoside, a monomethoxyflavanone, a monohydroxyflavanone and a member of 4'-hydroxyflavanones. It is functionally related to a sakuranetin.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

448.4 g/mol

XLogP3-AA

0.4

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

10

Rotatable Bond Count

5

Exact Mass

448.13694696 g/mol

Monoisotopic Mass

448.13694696 g/mol

Topological Polar Surface Area

155Ų

Heavy Atom Count

32

Formal Charge

0

Complexity

638

Isotope Atom Count

0

Defined Atom Stereocenter Count

6

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: Talinum triangulare
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