quercetin-3–0-galactoside

quercetin-3–0-galactoside
Compound Structure:
Synonyms: Hyperoside ;482-36-0 ;Hyperin Hyperosid ;Quercetin 3-galactoside
Compound ID: NMPC-1446
PubChem ID:

5281643
Molecular Formula: C21H20O12
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-DTGCRPNFSA-N
About the compound:

Quercetin 3-O-beta-D-galactopyranoside is a quercetin O-glycoside that is quercetin with a beta-D-galactosyl residue attached at position 3. Isolated from Artemisia capillaris, it exhibits hepatoprotective activity. It has a role as a hepatoprotective agent and a plant metabolite. It is a tetrahydroxyflavone, a monosaccharide derivative, a beta-D-galactoside and a quercetin O-glycoside

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

464.4 g/mol

XLogP3-AA

0.4

Hydrogen Bond Donor Count

8

Hydrogen Bond Acceptor Count

12

Rotatable Bond Count

4

Exact Mass

464.09547607 g/mol

Monoisotopic Mass

464.09547607 g/mol

Topological Polar Surface Area

207Ų

Heavy Atom Count

33

Formal Charge

0

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

Physical Description

Solid

Melting Point

232 - 233 °C

Source: PubChem                        
Source Species: Dacryodes edulis
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