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Sennoside A

CAT: 1596-AR-S02209-02Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S02209-02Size:50 Units
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CAS Number
81-27-6
Synonyms
(9R,9'R) -4,4'-dihydroxy-10,10'-dioxo-5,5'-bis (((2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) -9,9',10,10'-tetrahydro-[9,9'-bianthracene]-2,2'-dicarboxylic acid; (-) - (9R*,9'R*) -5,5'-bis (beta-D-glucopyranosyloxy) -4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid; (9,9'-Bianthracene) -2,2'-dicarboxylic acid, 5,5'-bis (beta-D-glucopyranosyloxy) -9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*, R*) - (VAN) ; (9R) -9-[ (9R) -2-carboxy-4-hydroxy-10-oxo-5-[ (2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[ (2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylic acid; (9R*,9'R*) -5,5'-bis (beta-D-glucopyranosyloxy) -4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid; (9R,9'R) -4,4'-dihydroxy-10,10'-dioxo-5,5'-bis ((2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yloxy) -9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid; (9R,9'R) -4,4'-dihydroxy-10,10'-dioxo-5,5'-bis ({[ (2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) oxan-2-yl]oxy}) -9H,9'H,10H,10'H-[9,9'-bianthracene]-2,2'-dicarboxylic acid; (9R,9'R) -5,5'-bis (beta-D-glucopyranosyloxy) -4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid; (9R,9'R) -5,5'-Bis (beta-D-glucopyranosyloxy) -9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo- [9,9'-bianthracene]-2,2'-dicarboxylic acid; (R*, R*) -5,5'-Bis (beta-D-glucopyranosyloxy) -9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-[9,9'-bianthracene]-2,2'-dicarboxylic acid
Molecular Formula
C42H38O20
Molecular Weight
862.74
API Name
Sennoside

Chemical Information

Senna

Sennoside A is a member of the class of sennosides that is rel-(9R,9'R)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'. The exact stereochemisty at positions 9 and 9' is not known - it may be R,R (as shown) or S,S. It is an oxo dicarboxylic acid and a member of sennosides.

CAS Number81-27-6
PubChem CID73111
IUPAC Name(9R)-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
Molecular FormulaC42H38O20
Molecular Weight862.7
XLogP1.2
Topological Polar Surface Area348
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count20
Rotatable Bond Count9
Heavy Atom Count62
Formal Charge0
Complexity1550
SMILES
C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O
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
InChIKey
IPQVTOJGNYVQEO-KGFNBKMBSA-N
Chemical Structure
2D Structure
2D structure of Senna
CAS: 81-27-6
CID: 73111
Formula: C42H38O20
MW: 862.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight862.7
XLogP31.2
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count20
Rotatable Bond Count9
Exact Mass862.19564360
Monoisotopic Mass862.19564360
Topological Polar Surface Area348 Ų
Heavy Atom Count62
Formal Charge0
Complexity1550
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MS08136-01Sennoside A
HY-N12281-01Sennoside

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