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Neoschaftoside

CAT: 0013-GTR19179174Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179174Size:5 mg
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Description
Neoschaftoside is a bioactive flavonoid with demonstrated antioxidant properties. It is utilized in research areas such as phytochemistry and pharmacology, where in vitro studies investigate its potential to mitigate oxidative stress.
CAS Number
61328-41-4
Smiles
OC=1C (=C2C (=C (O) C1[C@@H]3O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]3O) C (=O) C=C (O2) C4=CC=C (O) C=C4) [C@@H]5[C@H] (O) [C@@H] (O) [C@@H] (O) CO5
Molecular Formula
C26H28O14
Molecular Weight
564.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Neoschaftoside

Neoschaftoside is a flavone C-glycoside that is apigenin attached to a beta-D-glucopyranosyl and a beta-L-arabinopyranosyl residues at positions 6 and 8 respectively via C-glycosidic linkage. It has a role as a plant metabolite. It is a dihydroxyflavone and a flavone C-glycoside. It is functionally related to an apigenin.

CAS Number61328-41-4
PubChem CID442619
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Molecular FormulaC26H28O14
Molecular Weight564.5
XLogP-2.2
Topological Polar Surface Area247
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Heavy Atom Count40
Formal Charge0
Complexity938
SMILES
C1[C@@H]([C@@H]([C@H]([C@H](O1)C2=C3C(=C(C(=C2O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O
InChI
InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25+,26-/m0/s1
InChIKey
MMDUKUSNQNWVET-LQYCTPBQSA-N
Chemical Structure
2D Structure
2D structure of Neoschaftoside
CAS: 61328-41-4
CID: 442619
Formula: C26H28O14
MW: 564.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.5
XLogP3-2.2
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Exact Mass564.14790556
Monoisotopic Mass564.14790556
Topological Polar Surface Area247 Ų
Heavy Atom Count40
Formal Charge0
Complexity938
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

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CatalogName
380933Neoschaftoside

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