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(E) -Coniferin

CAT: 0127-BUP22146-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP22146-05Size:50 mg
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CAS Number
124151-33-3
Synonyms
(E) -Laricin
MDL Number
MFCD32857587
Purity
=98%
Smiles
O(C1=C(OC)C=C(/C=C/CO)C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O

Chemical Information

Coniferin

Coniferin is a monosaccharide derivative that is coniferol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. It has a role as a plant metabolite. It is a cinnamyl alcohol beta-D-glucoside, an aromatic ether and a monosaccharide derivative. It is functionally related to a coniferol.

CAS Number124151-33-3
PubChem CID5280372
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol
Molecular FormulaC16H22O8
Molecular Weight342.34
XLogP-1.3
Topological Polar Surface Area129
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity404
SMILES
COC1=C(C=CC(=C1)/C=C/CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1
InChIKey
SFLMUHDGSQZDOW-FAOXUISGSA-N
Chemical Structure
2D Structure
2D structure of Coniferin
CAS: 124151-33-3
CID: 5280372
Formula: C16H22O8
MW: 342.34
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.34
XLogP3-1.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass342.13146766
Monoisotopic Mass342.13146766
Topological Polar Surface Area129 Ų
Heavy Atom Count24
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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