Angoroside C

CAT: 0931-T3903-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0931-T3903-02Size:2 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

115909-22-3

Target

Prostaglandin Receptor

Related Pathways

GPCR/G Protein, Immunology/Inflammation

Purity

0.9892

Bioactivity

Angoroside C is a Potential anti-inflammatory compound. Inhibitor of prostaglandin E2 release in mouse peritoneal macrophages in vitro. Shows potent antioxidative activity in reducing the oxidized OH adducts of dAMP and dGMP. Reveals some trypanocidal potential.

Smiles

COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)\C=C\c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O

Molecular Formula

C36H48O19

Molecular Weight

784.75

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Angoroside C

angoroside C has been reported in Scrophularia nodosa, Buddleja davidii, and other organisms with data available.

CAS Number	115909-22-3
PubChem CID	23757181
IUPAC Name	[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular Formula	C36H48O19
Molecular Weight	784.8
XLogP	-1.4
Topological Polar Surface Area	282
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	15
Heavy Atom Count	55
Formal Charge	0
Complexity	1210

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO[C@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)OCCC5=CC(=C(C=C5)OC)O)O)O)O)O

InChI

InChI=1S/C36H48O19/c1-16-26(41)28(43)30(45)36(52-16)55-33-31(46)35(49-11-10-18-5-8-22(47-2)20(38)12-18)53-24(15-51-34-29(44)27(42)21(39)14-50-34)32(33)54-25(40)9-6-17-4-7-19(37)23(13-17)48-3/h4-9,12-13,16,21,24,26-39,41-46H,10-11,14-15H2,1-3H3/b9-6+/t16-,21-,24+,26-,27-,28+,29+,30+,31+,32+,33+,34-,35+,36-/m0/s1

InChIKey

KLQXMRBGMLHBBQ-DQTDZZOCSA-N

Chemical Structure

2D Structure

CAS: 115909-22-3

CID: 23757181

Formula: C36H48O19

MW: 784.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	784.8
XLogP3	-1.4
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	15
Exact Mass	784.27897930
Monoisotopic Mass	784.27897930
Topological Polar Surface Area	282 Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	1210
Isotope Atom Count	0
Defined Atom Stereocenter Count	14
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS5802148	Angoroside A
HY-N0062-01	Angoroside C
TBZ30106	Angoroside B
371171	Angoroside C discontinued
HY-N0062R	Angoroside C (Standard)

Angoroside C

Chemical Information

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