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Gardenoside

CAT: 0931-T3S2296-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T3S2296-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24512-62-7
Target
Others, P2X Receptor, ROS
Related Pathways
Neuroscience, Immunology/Inflammation, Membrane transporter/Ion channel, Others
Purity
0.9986
Bioactivity
Gardenoside has hepatoprotective, pain‑ relieving, and anti-mastitis effects. it may be a potential therapeutic herb against NASH by suppressed supernatant inflammatory cytokine production and intracellular NFkB activity. Gardenoside may be considered potential drug candidates that target P2X3 and P2X7 purine receptors.
Smiles
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@@]2(O)CO
Molecular Formula
C17H24O11
Molecular Weight
404.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gardenoside

Gardenoside has been reported in Oldenlandia herbacea var. herbacea, Gardenia jasminoides, and other organisms with data available.

CAS Number24512-62-7
PubChem CID442423
IUPAC Namemethyl (1S,4aS,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
Molecular FormulaC17H24O11
Molecular Weight404.4
XLogP-2.8
Topological Polar Surface Area175
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity649
SMILES
COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C=C[C@]2(CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C17H24O11/c1-25-14(23)8-5-26-15(10-7(8)2-3-17(10,24)6-19)28-16-13(22)12(21)11(20)9(4-18)27-16/h2-3,5,7,9-13,15-16,18-22,24H,4,6H2,1H3/t7-,9-,10-,11-,12+,13-,15+,16+,17-/m1/s1
InChIKey
XJMPAUZQVRGFRE-AYDWLWLASA-N
Chemical Structure
2D Structure
2D structure of Gardenoside
CAS: 24512-62-7
CID: 442423
Formula: C17H24O11
MW: 404.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight404.4
XLogP3-2.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass404.13186158
Monoisotopic Mass404.13186158
Topological Polar Surface Area175 Ų
Heavy Atom Count28
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes