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Glycosides and other natural products

Scrorodioside

Also known as ACon1_002436

CAS 171440-26-9Formula C32H40O16Molar mass 680.66 g/mol
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Scrorodioside chemical structure, C32H40O16, CAS 171440-26-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
171440-26-9
Formula
C32H40O16
Molar mass
680.66 g/mol
HS code
293890
Category
Glycosides and other natural products

What is Scrorodioside?

Plain description, key identifiers and synonyms

Scorodioside has been reported in Oreosolen wattii and Scrophularia scorodonia.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,3R,4R,5S,6S)-4-acetyloxy-5-hydroxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-3-yl] (E)-3-phenylprop-2-enoate
CAS number
171440-26-9
Molecular formula
C32H40O16
InChIKey
IBXDTZNDJHAVNK-DGUYHALFSA-N
InChI
InChI=1S/C32H40O16/c1-14-21(37)26(43-15(2)35)27(45-19(36)9-8-16-6-4-3-5-7-16)31(42-14)46-25-17-10-11-41-29(20(17)32(13-34)28(25)48-32)47-30-24(40)23(39)22(38)18(12-33)44-30/h3-11,14,17-18,20-31,33-34,37-40H,12-13H2,1-2H3/b9-8+/t14-,17+,18+,20+,21-,22+,23-,24+,25-,26+,27+,28-,29-,30-,31-,32+/m0/s1
Canonical SMILES
CC(=O)OC1C(O)C(C)OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)C1OC(=O)C=Cc1ccccc1
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]3C=CO[C@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC(=O)/C=C/C6=CC=CC=C6)OC(=O)C)O

Synonyms

  • ACon1_002436

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
680.66 g/molcalc.
Exact mass
680.2316 Dacalc.
LogP (octanol/water)
-1.9calc.
Topological polar surface area
232.7 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
16calc.
Rotatable bonds
10calc.
Heavy atoms
48calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
16calc.
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=C(C=Cc1ccccc1)OC1CCCOC1OC1C2C=COC(OC3CCCCO3)C2C2OC12

O=C(C=Cc1ccccc1)OC1CCCOC1OC1C2C=COC(OC3CCCCO3)C2C2OC12

6 rings, 35 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.

Scrorodioside suppliers

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

Frequently asked questions

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

What is Scrorodioside?

Scorodioside has been reported in Oreosolen wattii and Scrophularia scorodonia.

What is the CAS number of Scrorodioside?

The CAS registry number of Scrorodioside is 171440-26-9.

What is the molecular formula and weight of Scrorodioside?

The molecular formula of Scrorodioside is C32H40O16 and its molar mass is 680.66 g/mol.

Is Scrorodioside hazardous?

No GHS hazard classification for Scrorodioside 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 Scrorodioside?

Scrorodioside 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 Scrorodioside?

Post a free request on CompoundList and suppliers of Scrorodioside will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Scrorodioside?

Suppliers quote Scrorodioside 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 Scrorodioside

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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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