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Icariside E5

CAT: 0013-GTR19183425Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183425Size:1 mg
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Description
Icariside E5
CAS Number
126176-79-2
Smiles
COc1cc (C[C@@H] (CO) c2cc (\C=C\CO) cc (OC) c2O[C@@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O) ccc1O
Molecular Formula
C26H34O11
Molecular Weight
522.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Icariside E5

Icariside E5 is a glycoside and a stilbenoid.

CAS Number126176-79-2
PubChem CID91884923
IUPAC Name(2S,3R,4S,5S,6R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC26H34O11
Molecular Weight522.5
XLogP0.4
Topological Polar Surface Area179
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity693
SMILES
COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@@H](CC3=CC(=C(C=C3)O)OC)CO)/C=C/CO
InChI
InChI=1S/C26H34O11/c1-34-19-10-15(5-6-18(19)30)8-16(12-28)17-9-14(4-3-7-27)11-20(35-2)25(17)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-6,9-11,16,21-24,26-33H,7-8,12-13H2,1-2H3/b4-3+/t16-,21+,22+,23-,24+,26-/m0/s1
InChIKey
UFFRBCKYXMEITK-RUBGFCLFSA-N
Chemical Structure
2D Structure
2D structure of Icariside E5
CAS: 126176-79-2
CID: 91884923
Formula: C26H34O11
MW: 522.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.5
XLogP30.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass522.21011190
Monoisotopic Mass522.21011190
Topological Polar Surface Area179 Ų
Heavy Atom Count37
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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