Kaempferol-3-O-β-D-glucopyranoside

Compound Structure:

Synonyms:

7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-5-olate; kaempferol-3-O-D-glucoside; kaempferol 3-O-beta-D-glucoside(1-)

Compound ID:

NMPC-1176

PubChem ID:

25203515

Molecular Formula:

C21H19O11-

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-QSOFNFLRSA-M

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	447.4 g/mol
XLogP3-AA	0.8
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Exact Mass	447.09273642 g/mol
Monoisotopic Mass	447.09273642 g/mol
Topological Polar Surface Area	189Å²
Heavy Atom Count	32
Formal Charge	-1
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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