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Andrographiside

CAT: 0931-TN3412Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3412Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
82209-76-5
Target
Others
Related Pathways
Others
Bioactivity
Andrographiside shows protective effects on hepatotoxicity induced in mice by carbon tetrachloride or tert-butylhydroperoxide (tBHP) intoxication, the effects could be due to its glucoside groups which may act as strong antioxidants.
Smiles
C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12
Molecular Formula
C26H40O10
Molecular Weight
512.596
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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