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Darendoside A

CAT: 0931-T125792-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125792-02Size:5 mg
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CAS Number
149596-95-2
Target
Others
Related Pathways
Others
Bioactivity
Darendoside A is a useful organic compound for research related to life sciences. The catalog number is T125792 and the CAS number is 149596-95-2.
Smiles
OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
Molecular Formula
C19H28O11
Molecular Weight
432.422
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Darendoside A

Darendroside B has been reported in Catalpa ovata, Scutellaria orientalis, and other organisms with data available.

CAS Number149596-95-2
PubChem CID21668724
IUPAC Name(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Molecular FormulaC21H32O12
Molecular Weight476.5
XLogP-1.6
Topological Polar Surface Area188
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity596
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCC3=CC(=C(C=C3)OC)O)CO)O)O)O)O
InChI
InChI=1S/C21H32O12/c1-9-14(24)16(26)17(27)21(31-9)33-19-15(25)13(8-22)32-20(18(19)28)30-6-5-10-3-4-12(29-2)11(23)7-10/h3-4,7,9,13-28H,5-6,8H2,1-2H3/t9-,13+,14-,15+,16+,17+,18+,19-,20+,21-/m0/s1
InChIKey
MMRYSDPTALIPSP-MGXJDOAZSA-N
Chemical Structure
2D Structure
2D structure of Darendoside A
CAS: 149596-95-2
CID: 21668724
Formula: C21H32O12
MW: 476.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.5
XLogP3-1.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass476.18937645
Monoisotopic Mass476.18937645
Topological Polar Surface Area188 Ų
Heavy Atom Count33
Formal Charge0
Complexity596
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

Alternative Products

CatalogName
MBS5791259Darendoside A
MBS5780826Darendoside B

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