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Tortoside A

CAT: 0931-T125483-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125483-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
190655-16-4
Target
Others
Related Pathways
Others
Bioactivity
Tortoside A is a natural product that can be used as a reference standard.
Smiles
COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@H]1CO[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
Molecular Formula
C28H36O13
Molecular Weight
580.583
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tortoside A

Tortoside A has been reported in Eleutherococcus divaricatus and Pedicularis torta with data available.

CAS Number190655-16-4
PubChem CID101701119
IUPAC Name(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6R,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC28H36O13
Molecular Weight580.6
XLogP0.4
Topological Polar Surface Area175
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity807
SMILES
COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3CO[C@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC
InChI
InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20+,22+,23-,24+,25+,26-,28-/m0/s1
InChIKey
WEKCEGQSIIQPAQ-XFKFGYJUSA-N
Chemical Structure
2D Structure
2D structure of Tortoside A
CAS: 190655-16-4
CID: 101701119
Formula: C28H36O13
MW: 580.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.6
XLogP30.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass580.21559120
Monoisotopic Mass580.21559120
Topological Polar Surface Area175 Ų
Heavy Atom Count41
Formal Charge0
Complexity807
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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