6-O-coumaroyl-glucose

6-O-coumaroyl-glucose
Compound Structure:
Synonyms: 6-O-p-Coumaroyl-D-glucose;CHEBI:175156;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Compound ID: NMPC-477
PubChem ID:

13915664
Molecular Formula: C15H18O8
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)O)O)O)O)O
InChIKey: GKUSDFCBGXFHIL-ZZXKWVIFSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

326.30 g/mol

XLogP3-AA

-0.8

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

8

Rotatable Bond Count

5

Exact Mass

326.10016753 g/mol

Monoisotopic Mass

326.10016753 g/mol

Topological Polar Surface Area

137Ų

Heavy Atom Count

23

Formal Charge

0

Complexity

418

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

5

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Melting Point

184 - 186 °C

Source: PubChem                                                         
Source Species: Luffa cylindrica
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