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Tenuifoliose H

CAT: 0013-GTR19237355-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237355-01Size:1 mg
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Description
Tenuifoliose H is an oligosaccharide ester purified from Polygala tenuifolia roots. It is used in pharmacological research for its potent anti-inflammatory and antioxidant activities, as demonstrated in both in vitro cellular assays and in vivo animal models of inflammation and oxidative stress.
CAS Number
147742-13-0
Field of Research
Metabolism Research
Purity
99.58% (May vary between batches)
Smiles
O=C (OCC1 (OC2OC (COC (=O) C) C (OC (=O) C=CC3=CC=C (O) C=C3) C (OC4OC (COC (=O) C) C (OC (=O) C) C (OC5OC (CO) C (O) C (O) C5O) C4O) C2OC6OC (CO) C (O) C (O) C6O) OC (CO) C (O) C1OC (=O) C=7C=CC=CC7) C=CC8=CC=C (O) C=C8
Molecular Formula
C61H74O34
Molecular Weight
1351.22
Storage Conditions
Store at low temperature | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Tenuifoliose H

Tenuifoliose H has been reported in Polygala tenuifolia with data available.

CAS Number147742-13-0
PubChem CID10329080
IUPAC Name[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(acetyloxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
Molecular FormulaC61H74O34
Molecular Weight1351.2
XLogP-1.8
Topological Polar Surface Area504
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count34
Rotatable Bond Count31
Heavy Atom Count95
Formal Charge0
Complexity2550
SMILES
CC(=O)OC[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]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@]4([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)/C=C/C6=CC=C(C=C6)O)COC(=O)C)OC(=O)/C=C/C7=CC=C(C=C7)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)OC(=O)C
InChI
InChI=1S/C61H74O34/c1-27(65)81-24-38-50(84-29(3)67)52(90-57-47(77)45(75)42(72)35(21-62)85-57)49(79)59(87-38)91-53-51(89-41(71)20-14-31-11-17-34(69)18-12-31)39(25-82-28(2)66)88-60(54(53)92-58-48(78)46(76)43(73)36(22-63)86-58)95-61(26-83-40(70)19-13-30-9-15-33(68)16-10-30)55(44(74)37(23-64)94-61)93-56(80)32-7-5-4-6-8-32/h4-20,35-39,42-55,57-60,62-64,68-69,72-79H,21-26H2,1-3H3/b19-13+,20-14+/t35-,36-,37-,38-,39-,42-,43-,44-,45+,46+,47-,48-,49-,50-,51-,52-,53+,54-,55+,57+,58+,59+,60-,61+/m1/s1
InChIKey
XIFPYQUNAMJPOH-DOHUMDFZSA-N
Chemical Structure
2D Structure
2D structure of Tenuifoliose H
CAS: 147742-13-0
CID: 10329080
Formula: C61H74O34
MW: 1351.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1351.2
XLogP3-1.8
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count34
Rotatable Bond Count31
Exact Mass1350.4061494
Monoisotopic Mass1350.4061494
Topological Polar Surface Area504 Ų
Heavy Atom Count95
Formal Charge0
Complexity2550
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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