4-O-coumaroyl-glucose

4-O-coumaroyl-glucose
Compound Structure:
Synonyms: p-Coumaroyl-D-glucose;CHEBI:190396;(E,5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-(4-hydroxyphenyl)non-1-ene-3,4-dione
Compound ID: NMPC-430
PubChem ID:

21039417
Molecular Formula: C15H18O8
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C(=O)C(C(C(C(CO)O)O)O)O)O
InChIKey: MBXDFASBTUWDHK-MFFVXOFNSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

326.30 g/mol

XLogP3-AA

-1.8

Hydrogen Bond Donor Count

6

Hydrogen Bond Acceptor Count

8

Rotatable Bond Count

8

Exact Mass

326.10016753 g/mol

Monoisotopic Mass

326.10016753 g/mol

Topological Polar Surface Area

156Ų

Heavy Atom Count

23

Formal Charge

0

Complexity

427

Isotope Atom Count

0

Defined Atom Stereocenter Count

4

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

         Source: PubChem

                                                
Source Species: Luffa cylindrica
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