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Gardenoside

CAT: 0013-GTR19159819-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159819-02Size:500 mg
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Description
Gardenoside has laxative, cholagogic activities. Gardenoside has anti-inflammatory, analgesic activities. Gardenoside can treat soft tissue damage.Gardenoside can inhibit the secretion of gastric juice and reduce the role of pancreatic amylase.
CAS Number
24512-62-7
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (247.30 mM)
Smiles
COC (=O) C1=COC (C2C1C=CC2 (CO) O) OC3C (C (C (C (O3) CO) O) O) O
Molecular Formula
C17H24O11
Molecular Weight
404.36
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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