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Scandoside

CAT: 0804-HY-124881-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-124881-02Size:5 mg
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Description
Scandoside is a natural product that can be isolated from iridoid glucosides of Paederia scandens[1].
CAS Number
18842-99-4
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/scandoside.html
Solubility
10 mM in DMSO
Smiles
OC(C1=CO[C@H]([C@@]2([H])[C@]1([H])[C@@H](C=C2CO)O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)=O
Molecular Formula
C16H22O11
Molecular Weight
390.34
References & Citations
[1]Inouye H, et al. Studies on monoterpene glucosides. VII. Iridoid glucosides of Paederia scandens. Chem Pharm Bull (Tokyo) . 1969 Sep;17 (9) :1942-8.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Scandoside

scandoside has been reported in Galium rivale, Vaccinium dunalianum, and other organisms with data available.

CAS Number18842-99-4
PubChem CID21602023
IUPAC Name(1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Molecular FormulaC16H22O11
Molecular Weight390.34
XLogP-3.8
Topological Polar Surface Area186
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity632
SMILES
C1=C([C@@H]2[C@H]([C@@H]1O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
InChI
InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8-,9-,10+,11-,12+,13-,15+,16+/m1/s1
InChIKey
ZVXWFPTVHBWJOU-AWQYILTISA-N
Chemical Structure
2D Structure
2D structure of Scandoside
CAS: 18842-99-4
CID: 21602023
Formula: C16H22O11
MW: 390.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.34
XLogP3-3.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass390.11621151
Monoisotopic Mass390.11621151
Topological Polar Surface Area186 Ų
Heavy Atom Count27
Formal Charge0
Complexity632
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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