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Glycosides and other natural products

Ajugol

Also known as beta-d-glucopyranoside, (1S,4ar,5R,7S,7as)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta(c)pyran-1-yl, (1S,4ar,5R,7S,7as)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta(c)pyran-1-yl beta-d-glucopyranoside, (1S,4aR,5R,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-5,7-dihydroxy-7-methylcyclopenta[c]pyran-1-yl beta-D-glucopyranoside

CAS 52949-83-4Formula C15H24O9Molar mass 348.35 g/molEC 111-882-2
GHS signal word: Warning. Pictograms: Harmful or irritant 5 suppliers listed
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Ajugol chemical structure, C15H24O9, CAS 52949-83-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
52949-83-4
Formula
C15H24O9
Molar mass
348.35 g/mol
EC number
111-882-2
HS code
293890
Category
Glycosides and other natural products

What is Ajugol?

Plain description, key identifiers and synonyms

Ajugol is a glycoside and an iridoid monoterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CAS number
52949-83-4
EC number
111-882-2
Molecular formula
C15H24O9
UNII
3W9VFT5UKU
MDL number
MFCD28902296
InChIKey
VELYAQRXBJLJAK-XKKWFBPMSA-N
InChI
InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1
Canonical SMILES
CC1(O)CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21
Isomeric SMILES
C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

Synonyms

  • beta-d-glucopyranoside, (1S,4ar,5R,7S,7as)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta(c)pyran-1-yl
  • (1S,4ar,5R,7S,7as)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta(c)pyran-1-yl beta-d-glucopyranoside
  • (1S,4aR,5R,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-5,7-dihydroxy-7-methylcyclopenta[c]pyran-1-yl beta-D-glucopyranoside
  • (2S,3S,4R,5R,6S)-6-(((1R,4as,7S,7ar)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta(c)pyran-1-yl)oxy)-2-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol
  • beta-d-glucopyranoside, 1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta(c)pyran-1-yl, (1S-(1alpha,4a.alpha.,5alpha,7alpha,7a.alpha.))-
  • beta-d-Glucopyranoside, 1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta(c)pyran-1-yl, (1S-(1alpha,4aalpha,5alpha,7alpha,7aalpha))-
  • Leonuride
  • (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • Ajugol?
  • Ajugol, Leonuride
  • Ajugol (Standard)
  • (2S,3R,4S,5S,6R)-2-{[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
  • (1S,4aR,5R,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-5,7-dihydroxy-7-methylcyclopenta[c]pyran-1-yl |A-D-glucopyranoside
  • (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydr
  • (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

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
348.35 g/molcalc.
Exact mass
348.142 Dacalc.
LogP (octanol/water)
-2.58calc.
Topological polar surface area
149.1 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
3calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.87calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Passes (1 violation)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, C1=CC2CCCC2C(OC2CCCCO2)O1

C1=CC2CCCC2C(OC2CCCCO2)O1

3 rings, 16 atoms.

92 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Ajugol suppliers

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All 5 suppliers
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Where suppliers are based

5 suppliers in 2 countries

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

Frequently asked questions

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

What is Ajugol?

Ajugol is a glycoside and an iridoid monoterpenoid.

What is the CAS number of Ajugol?

The CAS registry number of Ajugol is 52949-83-4.

What is the molecular formula and weight of Ajugol?

The molecular formula of Ajugol is C15H24O9 and its molar mass is 348.35 g/mol.

Is Ajugol hazardous?

Ajugol carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Ajugol?

Ajugol 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 Ajugol?

CompoundList lists 5 suppliers of Ajugol in China and France. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Ajugol?

Suppliers quote Ajugol 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 Ajugol

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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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