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Screening compounds

Poliothrysoside

Also known as Nigracin, poliothyrsoside, [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate

CAS 18463-25-7Formula C20H22O9Molar mass 406.39 g/mol
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Poliothrysoside chemical structure, C20H22O9, CAS 18463-25-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
18463-25-7
Formula
C20H22O9
Molar mass
406.39 g/mol
HS code
293299
Category
Screening compounds

What is Poliothrysoside?

Plain description, key identifiers and synonyms

Nigracin has been reported in Loxocalyx urticifolius, Itoa orientalis, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
CAS number
18463-25-7 CAS number cross-checked
Molecular formula
C20H22O9
InChIKey
FLROYCKIIJCTDY-BFMVXSJESA-N
InChI
InChI=1S/C20H22O9/c21-9-12-8-13(22)6-7-14(12)28-20-18(25)17(24)16(23)15(29-20)10-27-19(26)11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1
Canonical SMILES
O=C(OCC1OC(Oc2ccc(O)cc2CO)C(O)C(O)C1O)c1ccccc1
Isomeric SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C(C=C3)O)CO)O)O)O

Synonyms

  • Nigracin
  • poliothyrsoside
  • [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
  • beta-D-Glucopyranoside, 4-hydroxy-2-(hydroxymethyl)phenyl, 6-benzoate
  • Xylosmoside
  • Poliothyrsoside, Xylosmoside
  • 4-Hydroxy-2-(hydroxymethyl)phenyl 6-O-benzoyl-beta-D-glucopyranoside
  • Glucopyranoside, alpha,4-dihydroxy-o-tolyl, 6-benzoate
  • 4-Hydroxy-2-(hydroxymethyl)phenyl 6-O-benzoylhexopyranoside
  • ((2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-hydroxy-2-(hydroxymethyl)phenoxy)tetrahydro-2H-pyran-2-yl)methyl benzoate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
406.39 g/molcalc.
Exact mass
406.1264 Dacalc.
LogP (octanol/water)
-0.07calc.
Topological polar surface area
145.9 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
6calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(OCC1CCCC(Oc2ccccc2)O1)c1ccccc1

O=C(OCC1CCCC(Oc2ccccc2)O1)c1ccccc1

3 rings, 23 atoms.

33 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Poliothrysoside suppliers

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Poliothrysoside price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Poliothrysoside is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Poliothrysoside is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Poliothrysoside, based on the data on this page

What is Poliothrysoside?

Nigracin has been reported in Loxocalyx urticifolius, Itoa orientalis, and other organisms.

What is the CAS number of Poliothrysoside?

The CAS registry number of Poliothrysoside is 18463-25-7.

What is the molecular formula and weight of Poliothrysoside?

The molecular formula of Poliothrysoside is C20H22O9 and its molar mass is 406.39 g/mol.

What is Poliothrysoside used for?

Known uses and roles of Poliothrysoside include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Poliothrysoside hazardous?

No GHS hazard classification for Poliothrysoside is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Poliothrysoside?

Poliothrysoside is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Poliothrysoside?

Post a free request on CompoundList and suppliers of Poliothrysoside will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Poliothrysoside?

Suppliers quote Poliothrysoside on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Poliothrysoside

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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