Eugenol glucoside

CAT: 0926-XE182726-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-XE182726-05Size:50 mg

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CAS Number

18604-50-7

Synonyms

2-Methoxy-4- (2-propen-1-yl) phenyl-O-β-D-glucopyranoside

Smiles

O ([C@H]1[C@H] (O) [C@@H] (O) [C@H] (O) [C@@H] (CO) O1) C2=C (OC) C=C (CC=C) C=C2

Molecular Formula

C16H22O7

Molecular Weight

326.34 g/mol

Controlled

Chemical Information

Citrusin C

eugenyl glucoside has been reported in Perilla frutescens, Pedicularis densispica, and other organisms with data available.

CAS Number	18604-50-7
PubChem CID	3084296
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol
Molecular Formula	C16H22O7
Molecular Weight	326.34
XLogP	0
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	377

SMILES

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

InChI

InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3/t12-,13-,14+,15-,16-/m1/s1

InChIKey

VADSVXSGIFBZLI-IBEHDNSVSA-N

Chemical Structure

2D Structure

CAS: 18604-50-7

CID: 3084296

Formula: C16H22O7

MW: 326.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.34
XLogP3	0
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	326.13655304
Monoisotopic Mass	326.13655304
Topological Polar Surface Area	109 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	377
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

Catalog	Name
OE44165-01	Eugenol rutinoside
VDA48061-01	Eugenol-β-D-glucuronide
ME07934-01	Eugenol-β-D-glucuronide tetraacetate
OZ30320-01	Trans-Zeatin-9-glucoside-o-glucoside
XG182727-01	Guaiacol glucoside
XB182721-01	(-) -Borneol glucoside
FGA83554-01	Diboa-glucoside
FC63181-01	Coco glucoside
MS44387-01	Stigmasterol glucoside
CCA76670-01	Medicarpin glucoside

Catalog	Name
MBS3606875-01	Eugenol