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Screening compounds

Oroboside

Also known as Orobol 7-O-glucoside, 3-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one, orobol-7-O-D-glucoside

Formula C21H20O11Molar mass 448.38 g/mol
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Oroboside chemical structure, C21H20O11
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C21H20O11
Molar mass
448.38 g/mol
HS code
293299
Category
Screening compounds

What is Oroboside?

Plain description, key identifiers and synonyms

Orobol 7-glucoside has been reported in Maclura tinctoria and Marchantia polymorpha.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular formula
C21H20O11
InChIKey
WJHSRFQBVYHKKL-CMWLGVBASA-N
InChI
InChI=1S/C21H20O11/c22-6-15-18(27)19(28)20(29)21(32-15)31-9-4-13(25)16-14(5-9)30-7-10(17(16)26)8-1-2-11(23)12(24)3-8/h1-5,7,15,18-25,27-29H,6H2/t15-,18-,19+,20-,21-/m1/s1
Canonical SMILES
O=c1c(-c2ccc(O)c(O)c2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12
Isomeric SMILES
C1=CC(=C(C=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

Synonyms

  • Orobol 7-O-glucoside
  • 3-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
  • orobol-7-O-D-glucoside
  • 3-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
  • 3',4',5-Trihydroxy-7-(beta-D-glucopyranosyloxy)isoflavone

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
448.38 g/molcalc.
Exact mass
448.1006 Dacalc.
LogP (octanol/water)
-0.24calc.
Topological polar surface area
190.3 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
4calc.
Heavy atoms
32calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Fails (2 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=c1c(-c2ccccc2)coc2cc(OC3CCCCO3)ccc12

O=c1c(-c2ccccc2)coc2cc(OC3CCCCO3)ccc12

4 rings, 24 atoms.

64 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.

Oroboside suppliers

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Oroboside 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 Oroboside 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 Oroboside is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Oroboside?

Orobol 7-glucoside has been reported in Maclura tinctoria and Marchantia polymorpha.

What is the molecular formula and weight of Oroboside?

The molecular formula of Oroboside is C21H20O11 and its molar mass is 448.38 g/mol.

What is Oroboside used for?

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

Is Oroboside hazardous?

No GHS hazard classification for Oroboside 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 Oroboside?

Oroboside 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 Oroboside?

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

What is the price of Oroboside?

Suppliers quote Oroboside 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 Oroboside

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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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