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Schaftoside

CAT: 0926-FS73932-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FS73932-01Size:10 mg
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CAS Number
51938-32-0
Synonyms
Apigenin-6-glucoside-8-arabinoside
MDL Number
MFCD00210554
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
Molecular Formula
C26H28O14
Molecular Weight
564.49 g/mol
Controlled
No

Chemical Information

Schaftoside

Schaftoside is a C-glycosyl compound that is apigenin substituted by beta-D-glucopyranosyl and an alpha-L-arabinopyranosyl moieties at positions 6 and 8 via C-glycosidic linkages. It has a role as an antioxidant and an antinematodal drug. It is a C-glycosyl compound and a trihydroxyflavone. It is functionally related to an apigenin.

CAS Number51938-32-0
PubChem CID442658
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,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-VYUBKLCTSA-N
Chemical Structure
2D Structure
2D structure of Schaftoside
CAS: 51938-32-0
CID: 442658
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

Alternative Products

CatalogName
N2082-20Schaftoside
371944Schaftoside discontinued
HY-N0703R-01Schaftoside (Standard)
A14654-200Schaftoside 200mg
A14654-100Schaftoside 100mg
A14654-5Schaftoside 5mg
A14654-1Schaftoside 1mg

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