Flacourtin

Compound Structure:

Synonyms:

Flacourtin; 3-Hydroxy-4-(hydroxymethyl)phenyl b-D-glucopyranoside 6-benzoate, 9CI; [3,4,5-trihydroxy-6-[3-hydroxy-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate

Compound ID:

NMPC-1054

PubChem ID:

13889568

Molecular Formula:

C20H22O9

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3=CC(=C(C=C3)CO)O)O)O)O

InChIKey:

YUHCIIZKQMLHKK-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	406.4 g/mol
XLogP3-AA	0.8
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	406.12638228 g/mol
Monoisotopic Mass	406.12638228 g/mol
Topological Polar Surface Area	146Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	524
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Solid
Melting Point	212 °C

Source: PubChem

Source Species:

Oncoba spinosa

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