Amaroswerin

CAT: 0013-GTR19220160-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19220160-01Size:1 mg

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Description

Amaroswerin is a bioactive secoiridoid glucoside from Swertia mussotii with diverse pharmacological activities, including anti-inflammatory and antidiabetic properties. It demonstrates potent inhibition of nitric oxide production in RAW264.7 macrophage cells (IC50 = 5.42 μg/mL), supporting its research utility in studying inflammation and metabolic disorders.

CAS Number

21233-18-1

Field of Research

Immunology & Inflammation

Smiles

C (=C) [C@@H]1[C@@]2 (O) C (=CO[C@H]1O[C@H]3[C@H] (OC (=O) C4=C (C=C (O) C=C4O) C5=CC (O) =CC=C5) [C@@H] (O) [C@H] (O) [C@@H] (CO) O3) C (=O) OCC2

Molecular Formula

C29H30O14

Molecular Weight

602.54

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Amaroswerin

Amaroswerin is a member of biphenyls.

CAS Number	21233-18-1
PubChem CID	45359883
IUPAC Name	[(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aR)-4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
Molecular Formula	C29H30O14
Molecular Weight	602.5
XLogP	1.3
Topological Polar Surface Area	222
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Heavy Atom Count	43
Formal Charge	0
Complexity	1070

SMILES

C=C[C@H]1[C@@H](OC=C2[C@]1(CCOC2=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O

InChI

InChI=1S/C29H30O14/c1-2-17-27(40-12-18-25(36)39-7-6-29(17,18)38)43-28-24(23(35)22(34)20(11-30)41-28)42-26(37)21-16(9-15(32)10-19(21)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,17,20,22-24,27-28,30-35,38H,1,6-7,11H2/t17-,20+,22+,23-,24+,27-,28-,29+/m0/s1

InChIKey

UZYZCCWBBBCDAD-WCYQFIIKSA-N

Chemical Structure

2D Structure

CAS: 21233-18-1

CID: 45359883

Formula: C29H30O14

MW: 602.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	602.5
XLogP3	1.3
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Exact Mass	602.16355563
Monoisotopic Mass	602.16355563
Topological Polar Surface Area	222 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1070
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
BA6101-1	Amaroswerin

Amaroswerin

Chemical Information

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