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Home Carboxys [9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(β-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-

[9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(β-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-

CAS No.:
128-57-4
Catalog Number:
AG000XNT
Molecular Formula:
C42H38O20
Molecular Weight:
862.7391
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Product Description
Catalog Number:
AG000XNT
Chemical Name:
[9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(β-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-
CAS Number:
128-57-4
Molecular Formula:
C42H38O20
Molecular Weight:
862.7391
MDL Number:
MFCD00151528
IUPAC Name:
(9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
InChI:
InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1
InChI Key:
IPQVTOJGNYVQEO-AIFLABODSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c([C@@H]3[C@@H]3c4cc(cc(c4C(=O)c4c3cccc4O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)O)C(=O)O)cc(cc2O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
EC Number:
204-895-0
UNII:
F887D1637W
Properties
Complexity:
1550  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
12  
Defined Bond Stereocenter Count:
0
Exact Mass:
862.196g/mol
Formal Charge:
0
Heavy Atom Count:
62  
Hydrogen Bond Acceptor Count:
20  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
862.746g/mol
Monoisotopic Mass:
862.196g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
348A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
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Sennoside B inhibits PDGF receptor signaling and cell proliferation induced by PDGF-BB in human osteosarcoma cells. Life sciences 20090619
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Anthranoid laxatives influence the absorption of poorly permeable drugs in human intestinal cell culture model (Caco-2). European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V 20070401
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Advice needed. Australian nursing journal (July 1993) 20050901
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Potassium supplements prevent serious hypokalaemia in colon cleansing. Clinical radiology 19941201
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Properties