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Andrographiside

CAT: 0804-HY-N2867Size: 1 EachDry Ice: NoHazardous: No
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Description
Andrographiside is a labdane diterpenoid glucoside that can be isolated from the leaves of Andrographis paniculata Nees. Andrographiside has antihepatotoxic and antioxidative effects. Andrographiside shows protective effects on mice with hepatotoxicity induced by carbon tetrachloride or tert-butylhydroperoxide (tBHP) [1].
CAS Number
82209-76-5
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/andrographiside.html
Solubility
10 mM in DMSO
Smiles
C[C@]12[C@@](CCC([C@H]2C/C=C3[C@@H](COC\3=O)O)=C)([H])[C@@](C)([C@@H](CC1)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO
Molecular Formula
C26H40O10
Molecular Weight
512.59
References & Citations
[1]Kapil A, et al. Antihepatotoxic effects of major diterpenoid constituents of Andrographis paniculata. Biochem Pharmacol. 1993 Jul 6;46 (1) :182-5.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Andrographoside

Andrographoside has been reported in Andrographis with data available.

CAS Number82209-76-5
PubChem CID6439612
IUPAC Name(3E,4S)-3-[2-[(4aS,5R,6R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
Molecular FormulaC26H40O10
Molecular Weight512.6
XLogP0
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity875
SMILES
C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)C2C/C=C/3\[C@@H](COC3=O)O)(C)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C26H40O10/c1-13-4-7-18-25(2,15(13)6-5-14-16(28)11-34-23(14)33)9-8-19(29)26(18,3)12-35-24-22(32)21(31)20(30)17(10-27)36-24/h5,15-22,24,27-32H,1,4,6-12H2,2-3H3/b14-5+/t15?,16-,17-,18+,19-,20-,21+,22-,24-,25+,26+/m1/s1
InChIKey
VUEPOIYXKZTLMD-JXJPMOHRSA-N
Chemical Structure
2D Structure
2D structure of Andrographoside
CAS: 82209-76-5
CID: 6439612
Formula: C26H40O10
MW: 512.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.6
XLogP30
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass512.26214747
Monoisotopic Mass512.26214747
Topological Polar Surface Area166 Ų
Heavy Atom Count36
Formal Charge0
Complexity875
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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