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Flavonoids and polyphenols

Vaccarin

Also known as 6-(2-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one, Vaccarin (Standard), 6-(2-O-alpha-L-Arabinopyranosyl

CAS 53452-16-7Formula C32H38O19Molar mass 726.64 g/mol
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Vaccarin chemical structure, C32H38O19, CAS 53452-16-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
53452-16-7
Formula
C32H38O19
Molar mass
726.64 g/mol
HS code
293890
Category
Flavonoids and polyphenols

What is Vaccarin?

Plain description, key identifiers and synonyms

Vaccarin is a glycoside and a member of flavonoids.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CAS number
53452-16-7
Molecular formula
C32H38O19
MDL number
MFCD20487836
InChIKey
GYIKGLVKALOGDP-HLEFUGOVSA-N
InChI
InChI=1S/C32H38O19/c33-7-17-23(40)26(43)30(51-31-27(44)21(38)14(37)9-46-31)29(49-17)20-13(36)6-16-19(24(20)41)12(35)5-15(48-16)10-1-3-11(4-2-10)47-32-28(45)25(42)22(39)18(8-34)50-32/h1-6,14,17-18,21-23,25-34,36-45H,7-9H2/t14-,17+,18+,21-,22+,23+,25-,26-,27+,28+,29-,30+,31-,32+/m0/s1
Canonical SMILES
O=c1cc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)oc2cc(O)c(C3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)c(O)c12
Isomeric SMILES
C1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)CO)O)O)O)O)O

Synonyms

  • 6-(2-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Vaccarin (Standard)
  • 6-(2-O-alpha-L-Arabinopyranosyl
  • (1S)-1,5-Anhydro-2-O-alpha-L-arabinopyranosyl-1-{2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl}-D-glucitol

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
726.64 g/molcalc.
Exact mass
726.2007 Dacalc.
LogP (octanol/water)
-3.97calc.
Topological polar surface area
319.1 Ųcalc.
Hydrogen bond donors
12calc.
Hydrogen bond acceptors
19calc.
Rotatable bonds
8calc.
Heavy atoms
51calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.53calc.
Formal charge
0calc.
Stereocentres
14calc.
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(-c2ccc(OC3CCCCO3)cc2)oc2ccc(C3OCCCC3OC3CCCCO3)cc12

O=c1cc(-c2ccc(OC3CCCCO3)cc2)oc2ccc(C3OCCCC3OC3CCCCO3)cc12

6 rings, 37 atoms.

1 other chemical 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.

Vaccarin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 2 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 1 country

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Vaccarin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Vaccarin is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Vaccarin?

Vaccarin is a glycoside and a member of flavonoids.

What is the CAS number of Vaccarin?

The CAS registry number of Vaccarin is 53452-16-7.

What is the molecular formula and weight of Vaccarin?

The molecular formula of Vaccarin is C32H38O19 and its molar mass is 726.64 g/mol.

Is Vaccarin hazardous?

No GHS hazard classification for Vaccarin 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 Vaccarin?

Vaccarin is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vaccarin?

CompoundList lists 2 suppliers of Vaccarin 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 Vaccarin?

Suppliers quote Vaccarin 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 Vaccarin

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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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