quercetin-3-O-glucoside

Compound Structure:

Synonyms:

quercetin-3-glucoside; Isotrifoliin ;quercetin 3-O-beta-D-glucoside ;quercetin-3-O-beta-D-glucoside ;CHEBI:144437

Compound ID:

NMPC-1447

PubChem ID:

25203368

Molecular Formula:

C21H19O12-

Canonical SMILES:

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

InChIKey:

OVSQVDMCBVZWGM-QSOFNFLRSA-M

About the compound:

Quercetin 3-O-beta-D-glucopyranoside(1-) is a flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of the flavone moiety of quercetin. The major species at pH 7.3. It is a conjugate base of a quercetin 3-O-beta-D-glucopyranoside.

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	463.4 g/mol
XLogP3-AA	1
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	4
Exact Mass	463.08765104 g/mol
Monoisotopic Mass	463.08765104 g/mol
Topological Polar Surface Area	209Å²
Heavy Atom Count	33
Formal Charge	-1
Complexity	758
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
Landolphia owariensis
Bauhinia tomentosa.

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