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Flavonoids and polyphenols

Ligustroflavone

Also known as apigenin-7-O-beta-(2'',6''-di-alpha-rhamnopyranosyl)-glucopyranoside, Nuezhenoside, Ligustroflavone(Nuezhenoside)

CAS 260413-62-5Formula C33H40O18Molar mass 724.67 g/mol
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Ligustroflavone chemical structure, C33H40O18, CAS 260413-62-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
260413-62-5
Formula
C33H40O18
Molar mass
724.67 g/mol
HS code
293890
Category
Flavonoids and polyphenols

What is Ligustroflavone?

Plain description, key identifiers and synonyms

7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one has been reported in Ligustrum vulgare.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CAS number
260413-62-5
Molecular formula
C33H40O18
MDL number
MFCD22125004
InChIKey
NULBHTHMVOCGOE-ZBCCAYPVSA-N
InChI
InChI=1S/C33H40O18/c1-11-22(37)25(40)28(43)31(46-11)45-10-20-24(39)27(42)30(51-32-29(44)26(41)23(38)12(2)47-32)33(50-20)48-15-7-16(35)21-17(36)9-18(49-19(21)8-15)13-3-5-14(34)6-4-13/h3-9,11-12,20,22-35,37-44H,10H2,1-2H3/t11-,12-,20+,22-,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33+/m0/s1
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O)O)O

Synonyms

  • apigenin-7-O-beta-(2'',6''-di-alpha-rhamnopyranosyl)-glucopyranoside
  • Nuezhenoside
  • Ligustroflavone(Nuezhenoside)
  • Ligustroflavone (Standard)
  • apigenin-7-O-[2''-O-alpha-L-rhamnopyranosyl-6''-O-alpha-L-rhamnopyranosyl]-beta-D-glucopyranoside

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
724.67 g/molcalc.
Exact mass
724.2215 Dacalc.
LogP (octanol/water)
-2.25calc.
Topological polar surface area
287.9 Ųcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
8calc.
Heavy atoms
51calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
15calc.
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)oc2cc(OC3OC(COC4CCCCO4)CCC3OC3CCCCO3)ccc12

O=c1cc(-c2ccccc2)oc2cc(OC3OC(COC4CCCCO4)CCC3OC3CCCCO3)ccc12

6 rings, 39 atoms.

6 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.

Ligustroflavone suppliers

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Where suppliers are based

1 supplier in 1 country

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Ligustroflavone 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

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

Frequently asked questions

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

What is Ligustroflavone?

7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one has been reported in Ligustrum vulgare.

What is the CAS number of Ligustroflavone?

The CAS registry number of Ligustroflavone is 260413-62-5.

What is the molecular formula and weight of Ligustroflavone?

The molecular formula of Ligustroflavone is C33H40O18 and its molar mass is 724.67 g/mol.

Is Ligustroflavone hazardous?

No GHS hazard classification for Ligustroflavone 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 Ligustroflavone?

Ligustroflavone 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 Ligustroflavone?

CompoundList lists 1 supplier of Ligustroflavone 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 Ligustroflavone?

Suppliers quote Ligustroflavone 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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