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Teucardoside

CAT: 0931-T124221-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T124221-02Size:5 mg
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CAS Number
78280-92-9
Target
Others
Related Pathways
Others
Bioactivity
Teucardoside is a natural product that can be used as a reference standard. The CAS number of Teucardoside is 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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
GTR19231715-01Teucardoside

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