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Flavonoids and polyphenols

Isoschaftoside

Also known as 4H-1-Benzopyran-4-one, 6-alpha-L-arabinopyranosyl-8-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-, Apigenin 6-C-alpha-L-arabinopyranoside-8-C-beta-D-glucopyranoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-6-((2S,4S,5S)-3,4,5-trihydroxyoxan-2-yl)chromen-4-one

CAS 52012-29-0Formula C26H28O14Molar mass 564.50 g/molEC 826-197-0
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Isoschaftoside chemical structure, C26H28O14, CAS 52012-29-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
52012-29-0
Formula
C26H28O14
Molar mass
564.50 g/mol
EC number
826-197-0
HS code
293299
Category
Flavonoids and polyphenols

What is Isoschaftoside?

Plain description, key identifiers and synonyms

Isoschaftoside is a C-glycosyl compound that is apigenin substituted at positions 6 and 8 by alpha-L-arabinopyranosyl and beta-D-glucosyl residues respectively. It has a role as a metabolite. It is a C-glycosyl compound and a trihydroxyflavone. It is functionally related to an apigenin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
CAS number
52012-29-0
EC number
826-197-0
Molecular formula
C26H28O14
UNII
H27X8715V3
MDL number
MFCD00210518
InChIKey
OVMFOVNOXASTPA-VYUBKLCTSA-N
InChI
InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1
Canonical SMILES
O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12
Isomeric SMILES
C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O

Synonyms

  • 4H-1-Benzopyran-4-one, 6-alpha-L-arabinopyranosyl-8-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • Apigenin 6-C-alpha-L-arabinopyranoside-8-C-beta-D-glucopyranoside
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-6-((2S,4S,5S)-3,4,5-trihydroxyoxan-2-yl)chromen-4-one
  • Isoshaftoside
  • 6-C-alpha-L-Arabinosyl-8-C-beta-D-glucosylapigenin
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
  • apigenin 6-C-arabinoside 8-C-glucoside
  • Isoschaftoside (Standard)
  • apigenin-C-hexoside-pentoside
  • apigenin-C-hexaose-C-pentoside
  • apigenin-6-C-arabinosylglucoside
  • 6-C-arabinose-8-C-glucose-apigenin
  • apigenin 6-C-pentosyl-8-C-hexoside
  • 6-C-arabinosyl 8-C-glucosylapigenin
  • 6-C-arabinosyl-8-C-glucosylapigenin
  • apigenin 6-C-pentoside-8-C-hexoside
  • apigenin-6-C-arabinose-8-C-glucoside
  • apigenin-6-C-arabinosyl-8-C-glucoside
  • apigenin 6-C-arabinoside-8-C-glucoside
  • 2-(4-Hydroxyphenyl)-5,7-dihydroxy-6-(alpha-l-arabinopyranosyl)-8-(beta-d-glucopyranosyl)-4H-1-benzopyran-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-4H-chromen-4-one
  • 6-(alpha-l-Arabinopyranosyl)-8-(beta-d-glucopyranosyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Apigenin-6-alpha-l-arabinosyl-8-beta-glucoside
  • Apigenin-6-| cent-l-arabinosyl-8-|?-glucoside
  • 5,7,4'-Trihydroxy-6-C-arabinoside-8-C-glucoside flavone
Show all 31 synonyms
  • 6-C-alpha-L-arabinopyranosyl-8-C-beta-D-glucosylapigenin
  • Apigenin 6-c-alpha-l-arabinoside 8-c-beta-d-glucoside
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-...
  • 5,7-dihydroxy-2-(4-hydroR)-3,4,5-trihydroxy-6-(hydroxR,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-one (non-preferred name)
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl) oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl) chromen-4-one
  • Isoschaftoside4H-1-Benzopyran-4-one, 6-alpha-L-arabinopyranosyl-8-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-

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
564.50 g/molcalc.
Exact mass
564.1479 Dacalc.
LogP (octanol/water)
-1.75calc.
Topological polar surface area
251 Ųcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
4calc.
Heavy atoms
40calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Fails (3 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=c1cc(-c2ccccc2)oc2c(C3CCCCO3)cc(C3CCCCO3)cc12

O=c1cc(-c2ccccc2)oc2c(C3CCCCO3)cc(C3CCCCO3)cc12

5 rings, 29 atoms.

32 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.

Isoschaftoside suppliers

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Where suppliers are based

4 suppliers in 1 country

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Isoschaftoside 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

Roles

  • metabolite

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

Frequently asked questions

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

What is Isoschaftoside?

Isoschaftoside is a C-glycosyl compound that is apigenin substituted at positions 6 and 8 by alpha-L-arabinopyranosyl and beta-D-glucosyl residues respectively. It has a role as a metabolite. It is a C-glycosyl compound and a trihydroxyflavone. It is functionally related to an apigenin.

What is the CAS number of Isoschaftoside?

The CAS registry number of Isoschaftoside is 52012-29-0.

What is the molecular formula and weight of Isoschaftoside?

The molecular formula of Isoschaftoside is C26H28O14 and its molar mass is 564.50 g/mol.

What is Isoschaftoside used for?

Known uses and roles of Isoschaftoside include metabolite.

Is Isoschaftoside hazardous?

No GHS hazard classification for Isoschaftoside 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 Isoschaftoside?

Isoschaftoside 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 Isoschaftoside?

CompoundList lists 4 suppliers of Isoschaftoside in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Isoschaftoside?

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

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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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