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Scillabiose

CAT: 0013-GTR19192672-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192672-02Size:100 mg
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Description
Scilabiose is the common disaccharide glycone found in the cardiac glycosides hellebrin and transvaalin. This carbohydrate moiety is of interest in pharmacological research, particularly for studying the structure-activity relationships of natural products in both biochemical and cellular assays.
CAS Number
40525-07-3
Smiles
O ([C@H] ([C@H] ([C@H] (C=O) O) O) [C@H] (C) O) [C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C12H22O10
Molecular Weight
326.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Scillabiose

Scillabiose is an O-acyl carbohydrate.

CAS Number40525-07-3
PubChem CID20056675
IUPAC Name(2R,3S,4S,5S)-2,3,5-trihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
Molecular FormulaC12H22O10
Molecular Weight326.30
XLogP-4
Topological Polar Surface Area177
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity353
SMILES
C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
InChI
InChI=1S/C12H22O10/c1-4(15)11(7(17)5(16)2-13)22-12-10(20)9(19)8(18)6(3-14)21-12/h2,4-12,14-20H,3H2,1H3/t4-,5-,6+,7-,8+,9-,10+,11-,12-/m0/s1
InChIKey
XAVVYCXXDSHXNS-ULUQPUQLSA-N
Chemical Structure
2D Structure
2D structure of Scillabiose
CAS: 40525-07-3
CID: 20056675
Formula: C12H22O10
MW: 326.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.30
XLogP3-4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass326.12129689
Monoisotopic Mass326.12129689
Topological Polar Surface Area177 Ų
Heavy Atom Count22
Formal Charge0
Complexity353
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
T34583-01Scillabiose

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