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Teucardoside

CAT: 0013-GTR19231715-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231715-01Size:1 mg
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Description
Teucardoside (CAS 78280-92-9) is a natural product suitable for use as an analytical reference standard. Research applications include its study in phytochemistry and for evaluating biological activities in various in vitro assay systems.
CAS Number
78280-92-9
Smiles
[H][C@]12[C@H] (O[C@@H]3O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]3O) OC=C[C@@]1 (O[C@@H]1O[C@@H] (C) [C@H] (O) [C@@H] (O) [C@H]1O) C (=O) C=C2C
Molecular Formula
C21H30O13
Molecular Weight
490.458
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Teucardoside

teucardoside has been reported in Teucrium hircanicum and Teucrium polium with data available.

CAS Number78280-92-9
PubChem CID336014
IUPAC Name7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,7a-dihydrocyclopenta[c]pyran-5-one
Molecular FormulaC21H30O13
Molecular Weight490.5
XLogP-3.4
Topological Polar Surface Area205
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity831
SMILES
CC1C(C(C(C(O1)OC23C=COC(C2C(=CC3=O)C)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
InChI
InChI=1S/C21H30O13/c1-7-5-10(23)21(34-20-17(29)14(26)12(24)8(2)31-20)3-4-30-18(11(7)21)33-19-16(28)15(27)13(25)9(6-22)32-19/h3-5,8-9,11-20,22,24-29H,6H2,1-2H3
InChIKey
WDMQLCVSWBENIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Teucardoside
CAS: 78280-92-9
CID: 336014
Formula: C21H30O13
MW: 490.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.5
XLogP3-3.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Exact Mass490.16864101
Monoisotopic Mass490.16864101
Topological Polar Surface Area205 Ų
Heavy Atom Count34
Formal Charge0
Complexity831
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count13
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T124221-01Teucardoside

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