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Torososide B

CAT: 0931-T203084-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T203084-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
243835-63-4
Target
Leukotriene Receptor
Related Pathways
GPCR/G Protein
Bioactivity
Torososide B is an anti-allergic compound that inhibits leukotriene release from calcium ionophore A-stimulated rat peritoneal mast cells.
Smiles
O(C1=C2C(C(=O)C=3C(C2=O)=C(O)C=C(C)C3)=CC(OC)=C1)[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@H]4O
Molecular Formula
C40H52O25
Molecular Weight
932.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Torososide B

Torososide B is a monohydroxy-9,10-anthraquinone that is the tetrasaccharide derivative of physcion. Isolated from Cassia torosa, it exhibits inhibitory effect towards the release of leucotrienes. It has a role as a metabolite, a leukotriene antagonist and an anti-allergic agent. It is a monohydroxyanthraquinone and a tetrasaccharide derivative. It is functionally related to a physcion.

CAS Number243835-63-4
PubChem CID9988405
IUPAC Name1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methoxy-6-methylanthracene-9,10-dione
Molecular FormulaC40H52O25
Molecular Weight932.8
XLogP-4.6
Topological Polar Surface Area400
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count25
Rotatable Bond Count13
Heavy Atom Count65
Formal Charge0
Complexity1600
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)O)O)OC
InChI
InChI=1S/C40H52O25/c1-11-3-13-21(15(43)4-11)28(49)22-14(23(13)44)5-12(57-2)6-16(22)60-39-33(54)30(51)25(46)19(63-39)10-59-38-35(56)36(27(48)18(8-42)62-38)65-40-34(55)31(52)26(47)20(64-40)9-58-37-32(53)29(50)24(45)17(7-41)61-37/h3-6,17-20,24-27,29-43,45-48,50-56H,7-10H2,1-2H3/t17-,18-,19-,20-,24-,25-,26-,27-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+/m1/s1
InChIKey
PIFVMMPDYLWDPU-QFKVYBHTSA-N
Chemical Structure
2D Structure
2D structure of Torososide B
CAS: 243835-63-4
CID: 9988405
Formula: C40H52O25
MW: 932.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight932.8
XLogP3-4.6
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count25
Rotatable Bond Count13
Exact Mass932.27976714
Monoisotopic Mass932.27976714
Topological Polar Surface Area400 Ų
Heavy Atom Count65
Formal Charge0
Complexity1600
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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