Vanillic acid 4-beta-D-glucoside

CAT: 0926-MV173458-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-MV173458-01Size:1 mg

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CAS Number

32142-31-7

MDL Number

MFCD16294851

Smiles

COC1=C (C=CC (=C1) C (=O) O) O[C@H]2[C@@H] ([C@H] ([C@@H] ([C@H] (O2) CO) O) O) O

Molecular Formula

C14H18O9

Molecular Weight

330.29 g/mol

Controlled

Chemical Information

Vanillic acid glucoside

Vanillic acid glucoside is a tannin.

CAS Number	32142-31-7
PubChem CID	14132336
IUPAC Name	3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
Molecular Formula	C14H18O9
Molecular Weight	330.29
XLogP	-1.5
Topological Polar Surface Area	146
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	404

SMILES

COC1=C(C=CC(=C1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)

InChIKey

JYFOSWJYZIVJPO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32142-31-7

CID: 14132336

Formula: C14H18O9

MW: 330.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.29
XLogP3	-1.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	330.09508215
Monoisotopic Mass	330.09508215
Topological Polar Surface Area	146 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	404
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

Catalog	Name
FP145264-01	Pseudolaric acid A beta-D-glucoside
FS171725-01	Sinapic acid acyl-beta-D-glucoside
ZAA40449-01	Epipinoresinol-4-o-beta-D-glucoside
JDA81200-01	3,4-Dimethoxyphenyl beta-D-glucoside
FV67106-01	Vanillic acid hydrazide
NF180445-01	(E) -Ferulic acid 4-O-β-D-glucoside
FH66205-01	7-Hydroxyflavone-beta-D-glucoside
FH65890-01	6-Hydroxyflavone-beta-D-glucoside
FV71320-01	Vanillic acid methyl ester
NCA31627-01	Isosaponarin 2''-o-glucoside (isovitexin-2''-4'-di-o-beta-D-glucoside)

Catalog	Name
sc-506120	Vanillic acid 4-β-D-glucoside
583121	Vanillic acid glucoside
TN8782-01	Vanillic acid 4-O-β-D-glucopyranoside
AR-V06395-01	Vanillic Acid 4-Sulfate
32761487	Vanillic acid (4-Hydroxy-3-methoxybenzoic acid)
TRC-S712350-100MG	Vanillic Acid 4-Sulphate Sodium Salt
AB1695	Vanillic acid
GTR19269097	(E) -Ferulic acid 4-O-beta-D-glucoside
M32512	(Z) -Ferulic acid 4-O-beta-D-glucoside
TRC-M334500-1G	4-Methylumbelliferyl Beta-D-Glucoside