Kaempferol-7-O-β-D-glucopyranoside

Kaempferol-7-O-β-D-glucopyranoside
Compound Structure:
Synonyms: 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; kaempferol 7-O-glucoside; Kaempferol-7-o-D-glucopyranoside; Kaempferol-7-o-beta-D-glucopyranoside; Populnin
Compound ID: NMPC-1178
PubChem ID:

10095180
Molecular Formula: C21H20O11
Canonical SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
InChIKey: YPWHZCPMOQGCDQ-HMGRVEAOSA-N
About the compound:

Kaempferol 7-O-beta-D-glucopyranoside is a kaempferol O-glucoside that is kaempferol attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as a metabolite, a radical scavenger and a plant metabolite. It is a beta-D-glucoside, a kaempferol O-glucoside, a monosaccharide derivative, a trihydroxyflavone and a member of flavonols. It is functionally related to a beta-D-glucose.
Properties:

Chemical and Physical Properties

Computed 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

186Ų

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: Indigofera hirsuta L.
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