2,3-dihydrokaempferol-3-O-glucopyranoside

2,3-dihydrokaempferol-3-O-glucopyranoside
Compound Structure:
Synonyms: Dihydrokaempferol-3-glucoside;1574305-24-0;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one
Compound ID: NMPC-163
PubChem ID:

14354979
Molecular Formula: C21H22O11
Canonical SMILES: C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
InChIKey: VWBWQPAZMNABMR-UHFFFAOYSA-N
About the compound:

5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one is a complex organic compound found in the plant species Dalbergia sericea. This natural product likely has a specific role or function within the plant, but the exact details of its biological activities or significance may vary. Natural products like this one can have a wide range of effects and are sometimes of interest in pharmacology and medicinal chemistry due to their potential biological activities.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

450.4 g/mol

XLogP3-AA

0.2

Hydrogen Bond Donor Count

7

Hydrogen Bond Acceptor Count

11

Rotatable Bond Count

4

Exact Mass

450.11621151 g/mol

Monoisotopic Mass

450.11621151 g/mol

Topological Polar Surface Area

186Ų

Heavy Atom Count

32

Formal Charge

0

Complexity

654

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

7

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Treculia africana
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