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Amburoside B

CAT: 0013-GTR19239402-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239402-02Size:50 mg
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Description
Amburoside B is a naturally occurring phenolic glycoside. It is utilized in biochemical research, particularly in studies investigating its antioxidant and anti-inflammatory properties, as evidenced by in vitro assays and preliminary in vivo models.
CAS Number
221011-65-0
Smiles
O ([C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O) C2=CC=C (COC (=O) C3=CC (OC) =C (O) C=C3) C=C2
Molecular Formula
C21H24O10
Molecular Weight
436.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Amburoside B

Amburoside B has been reported in Amburana cearensis with data available.

CAS Number221011-65-0
PubChem CID10478156
IUPAC Name[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 4-hydroxy-3-methoxybenzoate
Molecular FormulaC21H24O10
Molecular Weight436.4
XLogP0.5
Topological Polar Surface Area155
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity566
SMILES
COC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C21H24O10/c1-28-15-8-12(4-7-14(15)23)20(27)29-10-11-2-5-13(6-3-11)30-21-19(26)18(25)17(24)16(9-22)31-21/h2-8,16-19,21-26H,9-10H2,1H3/t16-,17-,18+,19-,21-/m1/s1
InChIKey
VBTPZRVFZQNHIT-GQUPQBGVSA-N
Chemical Structure
2D Structure
2D structure of Amburoside B
CAS: 221011-65-0
CID: 10478156
Formula: C21H24O10
MW: 436.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.4
XLogP30.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass436.13694696
Monoisotopic Mass436.13694696
Topological Polar Surface Area155 Ų
Heavy Atom Count31
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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