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Glycosides and other natural products

Clethroidoside B

Also known as 3-O-beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl-28-acetyl-3beta,16alpha,21beta,22alpha,28-pentahydroxyolean-12-ene

CAS 1335200-65-1Formula C49H80O20Molar mass 989.16 g/mol
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Clethroidoside B chemical structure, C49H80O20, CAS 1335200-65-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1335200-65-1
Formula
C49H80O20
Molar mass
989.16 g/mol
HS code
293890
Category
Glycosides and other natural products

What is Clethroidoside B?

Plain description, key identifiers and synonyms

Clethroidoside B is a triterpenoid saponin that is barringtogenol C which is acetylated at position 28 and attached to a beta-D-glucopyranosyl-(12)-[beta-D-glucopyranosyl-(14)]-alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the aerial parts of Lysimachia clethroides. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a triol, an acetate ester, a triterpenoid saponin and a trisaccharide derivative. It is functionally related to a barringtogenol C. It derives from a hydride of an oleanane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3,4,5-trihydroxy-10-[(2S,3R,4S,5S)-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate
CAS number
1335200-65-1
Molecular formula
C49H80O20
InChIKey
WJBKGNOXYGTIHU-FTWMTZRVSA-N
InChI
InChI=1S/C49H80O20/c1-21(52)64-20-49-23(15-44(2,3)39(61)40(49)62)22-9-10-28-46(6)13-12-30(45(4,5)27(46)11-14-47(28,7)48(22,8)16-29(49)53)68-43-38(69-42-37(60)35(58)32(55)25(18-51)66-42)33(56)26(19-63-43)67-41-36(59)34(57)31(54)24(17-50)65-41/h9,23-43,50-51,53-62H,10-20H2,1-8H3/t23-,24+,25+,26-,27-,28+,29+,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43-,46-,47+,48+,49-/m0/s1
Canonical SMILES
CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C1CC(C)(C)C(O)C2O
Isomeric SMILES
CC(=O)OC[C@@]12[C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]1CC([C@H]([C@@H]2O)O)(C)C)C)O

Synonyms

  • 3-O-beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl-28-acetyl-3beta,16alpha,21beta,22alpha,28-pentahydroxyolean-12-ene

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
989.16 g/molcalc.
Exact mass
988.5243 Dacalc.
LogP (octanol/water)
-1.26calc.
Topological polar surface area
324.4 Ųcalc.
Hydrogen bond donors
12calc.
Hydrogen bond acceptors
20calc.
Rotatable bonds
10calc.
Heavy atoms
69calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.94calc.
Formal charge
0calc.
Stereocentres
25calc.
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, C1=C2C3CCCCC3CCC2C2CCC3CC(OC4OCC(OC5CCCCO5)CC4OC4CCCCO4)CCC3C2C1

C1=C2C3CCCCC3CCC2C2CCC3CC(OC4OCC(OC5CCCCO5)CC4OC4CCCCO4)CCC3C2C1

8 rings, 43 atoms.

36 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.

Clethroidoside B suppliers

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Clethroidoside B 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

  • eukaryotic metabolite
  • metabolite
  • plant 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 Clethroidoside B 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 Clethroidoside B is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Clethroidoside B, based on the data on this page

What is Clethroidoside B?

Clethroidoside B is a triterpenoid saponin that is barringtogenol C which is acetylated at position 28 and attached to a beta-D-glucopyranosyl-(12)-[beta-D-glucopyranosyl-(14)]-alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the aerial parts of Lysimachia clethroides.

What is the CAS number of Clethroidoside B?

The CAS registry number of Clethroidoside B is 1335200-65-1.

What is the molecular formula and weight of Clethroidoside B?

The molecular formula of Clethroidoside B is C49H80O20 and its molar mass is 989.16 g/mol.

What is Clethroidoside B used for?

Known uses and roles of Clethroidoside B include eukaryotic metabolite, metabolite and plant metabolite.

Is Clethroidoside B hazardous?

No GHS hazard classification for Clethroidoside B 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 Clethroidoside B?

Clethroidoside B 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 Clethroidoside B?

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What is the price of Clethroidoside B?

Suppliers quote Clethroidoside B 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 Clethroidoside B

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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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