Kaempferol-3-O-glycopyranoside

Compound Structure:

Synonyms:

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; kaempferol 3-O-beta-L-glucopyranoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-L-glucopyranoside.

Compound ID:

NMPC-1174

PubChem ID:

9911508

Molecular Formula:

C21H20O11

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O

InChIKey:

JPUKWEQWGBDDQB-LQSBFMDOSA-N

About the compound:

Kaempferol 3-O-beta-L-glucopyranoside is a kaempferol O-glucoside that is kaempferol attached to a beta-L-glucopyranosyl moiety at position 3 via a glycosidic linkage. It has a role as a metabolite. It is a beta-L-glucoside, a kaempferol O-glucoside, a monosaccharide derivative, a trihydroxyflavone and a member of flavonols. It is functionally related to a beta-L-glucose.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	448.4 g/mol
XLogP3-AA	0.7
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Exact Mass	448.10056145 g/mol
Monoisotopic Mass	448.10056145 g/mol
Topological Polar Surface Area	186Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	719
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:

Holarrhena floribunda

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