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Torachrysone gentiobioside

CAT: 0013-GTR19219697-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219697-01Size:1 mg
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Description
Torachrysone gentiobioside is a natural phenolic glycoside derived from cassia seeds. This compound is investigated in vitro for its antioxidant properties and has been explored in vivo for potential anti-inflammatory effects within preclinical research models.
CAS Number
245724-09-8
Product Name Alternative
Torachrysonegentiobioside
Purity
99.89% (May vary between batches)
Solubility
DMSO:50 mg/mL (87.64 mM)
Smiles
O (C=1C2=C (C=C (OC) C1) C=C (C) C (C (C) =O) =C2O) [C@@H]3O[C@H] (CO[C@@H]4O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]4O) [C@@H] (O) [C@H] (O) [C@H]3O
Molecular Formula
C26H34O14
Molecular Weight
570.54
Storage Conditions
Store at low temperature | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Torachrysone 8-O-|A-D-glucoside

1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-2-naphthyl]ethanone has been reported in Senna tora with data available.

CAS Number245724-09-8
PubChem CID503732
IUPAC Name1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxynaphthalen-2-yl]ethanone
Molecular FormulaC26H34O14
Molecular Weight570.5
XLogP-0.9
Topological Polar Surface Area225
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity846
SMILES
CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)OC
InChI
InChI=1S/C26H34O14/c1-9-4-11-5-12(36-3)6-13(17(11)20(31)16(9)10(2)28)38-26-24(35)22(33)19(30)15(40-26)8-37-25-23(34)21(32)18(29)14(7-27)39-25/h4-6,14-15,18-19,21-27,29-35H,7-8H2,1-3H3/t14-,15-,18-,19-,21+,22+,23-,24-,25-,26-/m1/s1
InChIKey
XCIHPNCERQKEMU-IFEXPISBSA-N
Chemical Structure
2D Structure
2D structure of Torachrysone 8-O-|A-D-glucoside
CAS: 245724-09-8
CID: 503732
Formula: C26H34O14
MW: 570.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight570.5
XLogP3-0.9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass570.19485575
Monoisotopic Mass570.19485575
Topological Polar Surface Area225 Ų
Heavy Atom Count40
Formal Charge0
Complexity846
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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