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Cuniloside

CAT: 0931-T125697-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125697-02Size:5 mg
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CAS Number
160525-54-2
Target
Others
Related Pathways
Others
Bioactivity
Cuniloside is a useful organic compound for research related to life sciences. The catalog number is T125697 and the CAS number is 160525-54-2.
Smiles
CC(C)(O)C1CCC(=CC1)C(=O)OC[C@H]1O[C@@H](OC(=O)C2=CCC(CC2)C(C)(C)O)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C26H40O10
Molecular Weight
512.596
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cuniloside
CAS Number160525-54-2
PubChem CID51136390
IUPAC Name[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
Molecular FormulaC26H40O10
Molecular Weight512.6
XLogP0.8
Topological Polar Surface Area163
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity876
SMILES
CC(C)(C1CCC(=CC1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CCC(CC3)C(C)(C)O)O)O)O)O
InChI
InChI=1S/C26H40O10/c1-25(2,32)16-9-5-14(6-10-16)22(30)34-13-18-19(27)20(28)21(29)24(35-18)36-23(31)15-7-11-17(12-8-15)26(3,4)33/h5,7,16-21,24,27-29,32-33H,6,8-13H2,1-4H3/t16?,17?,18-,19-,20+,21-,24+/m1/s1
InChIKey
JOLLIDAUJSAZHE-NXLZJJLUSA-N
Chemical Structure
2D Structure
2D structure of Cuniloside
CAS: 160525-54-2
CID: 51136390
Formula: C26H40O10
MW: 512.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.6
XLogP30.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass512.26214747
Monoisotopic Mass512.26214747
Topological Polar Surface Area163 Ų
Heavy Atom Count36
Formal Charge0
Complexity876
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19228236-01Cuniloside
379938Cuniloside B

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