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Orcinol gentiobioside

CAT: 0013-GTR19168841-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168841-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Orcinol gentiobioside is a natural small molecule isolated from Curculigo breviscapa rhizomes. It exhibits anti-organophosphate activity, making it a compound of interest for neurotoxicity research in both in vitro and in vivo experimental models.
CAS Number
164991-86-0
Product Name Alternative
C. breviscapa, Anacardoside, inhibit, Orcinol gentiobioside, Inhibitor
Purity
99.67% (May vary between batches)
Solubility
Ethanol:Soluble; Pyridine, Methanol, etc.:Soluble; DMSO:65 mg/mL (144.95 mM)
Smiles
Cc1cc (O) cc (O[C@@H]2O[C@H] (CO[C@@H]3O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]3O) [C@@H] (O) [C@H] (O) [C@H]2O) c1
Molecular Formula
C19H28O12
Molecular Weight
448.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Npc5024
CAS Number164991-86-0
PubChem CID10411370
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-5-methylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Molecular FormulaC19H28O12
Molecular Weight448.4
XLogP-2.4
Topological Polar Surface Area199
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity566
SMILES
CC1=CC(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C19H28O12/c1-7-2-8(21)4-9(3-7)29-19-17(27)15(25)13(23)11(31-19)6-28-18-16(26)14(24)12(22)10(5-20)30-18/h2-4,10-27H,5-6H2,1H3/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1
InChIKey
XZPNBJLXZMBECP-SKYGPZSASA-N
Chemical Structure
2D Structure
2D structure of Npc5024
CAS: 164991-86-0
CID: 10411370
Formula: C19H28O12
MW: 448.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.4
XLogP3-2.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass448.15807632
Monoisotopic Mass448.15807632
Topological Polar Surface Area199 Ų
Heavy Atom Count31
Formal Charge0
Complexity566
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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