6-O-feruloyl-glucose

Compound Structure:

Synonyms:

6-O-Feruloylglucose;137887-25-3;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;6-O-(e)-feruloyl-glucose;F92946;beta-D-Glucopyranose, 6-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate]

Compound ID:

NMPC-481

PubChem ID:

71307318

Molecular Formula:

C16H20O9

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(C(C(C(C=O)O)O)O)O)O

InChIKey:

SQBITMSCIPALTP-LFJMMHPDSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	356.32 g/mol
XLogP3-AA	-1.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	10
Exact Mass	356.11073221 g/mol
Monoisotopic Mass	356.11073221 g/mol
Topological Polar Surface Area	154Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	453
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:

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