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Polygalic acid

CAT: 1410-M17914-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M17914-06Size:100 mg
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Description
Triterpenoid saponin. Shows expectorant, emetic and stimulant effects. Orally active.
CAS Number
1260-04-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
488.66
Molecular Formula
C29H44O6
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Polygalic acid

Polygalic acid is a 12alpha-hydroxy steroid.

CAS Number1260-04-4
PubChem CID12442765
IUPAC Name(2S,3R,4S,4aR,6aR,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-4,8a-dicarboxylic acid
Molecular FormulaC29H44O6
Molecular Weight488.7
XLogP4.9
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count35
Formal Charge0
Complexity984
SMILES
C[C@@]12CC[C@@H]3[C@@]([C@H]1CCC4=C2CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O)O)C
InChI
InChI=1S/C29H44O6/c1-25(2)12-13-29(24(34)35)11-8-17-16(18(29)14-25)6-7-20-26(17,3)10-9-21-27(20,4)15-19(30)22(31)28(21,5)23(32)33/h18-22,30-31H,6-15H2,1-5H3,(H,32,33)(H,34,35)/t18-,19-,20-,21+,22-,26-,27+,28-,29+/m0/s1
InChIKey
VZRKWGPIZJDNHC-LUNVCWBOSA-N
Chemical Structure
2D Structure
2D structure of Polygalic acid
CAS: 1260-04-4
CID: 12442765
Formula: C29H44O6
MW: 488.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.7
XLogP34.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass488.31378912
Monoisotopic Mass488.31378912
Topological Polar Surface Area115 Ų
Heavy Atom Count35
Formal Charge0
Complexity984
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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