CompoundList
Sign in
Flavonoids and polyphenols

Symplocoside

Also known as (2R,3R)-3,5,7,4'-Tetrahydroxy-3'-methoxyflavan 7-O-glucoside

CAS 76502-76-6Formula C22H26O11Molar mass 466.44 g/mol
Get quotes Safety data
Symplocoside chemical structure, C22H26O11, CAS 76502-76-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
76502-76-6
Formula
C22H26O11
Molar mass
466.44 g/mol
HS code
293299
Category
Flavonoids and polyphenols

What is Symplocoside?

Plain description, key identifiers and synonyms

(2S,3R,4S,5S,6R)-2-[[(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol has been reported in Symplocos uniflora and Pseudotsuga menziesii.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3R,4S,5S,6R)-2-[[(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CAS number
76502-76-6
Molecular formula
C22H26O11
InChIKey
NSWUFLQDWPOETD-UHGNYUERSA-N
InChI
InChI=1S/C22H26O11/c1-30-16-4-9(2-3-12(16)24)21-14(26)7-11-13(25)5-10(6-15(11)32-21)31-22-20(29)19(28)18(27)17(8-23)33-22/h2-6,14,17-29H,7-8H2,1H3/t14-,17-,18-,19+,20-,21-,22-/m1/s1
Canonical SMILES
COc1cc(C2Oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3CC2O)ccc1O
Isomeric SMILES
COC1=C(C=CC(=C1)[C@@H]2[C@@H](CC3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

Synonyms

  • (2R,3R)-3,5,7,4'-Tetrahydroxy-3'-methoxyflavan 7-O-glucoside

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
466.44 g/molcalc.
Exact mass
466.1475 Dacalc.
LogP (octanol/water)
-0.68calc.
Topological polar surface area
178.5 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
5calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
7calc.
Lipinski rule of five
Fails (2 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, c1ccc(C2CCc3ccc(OC4CCCCO4)cc3O2)cc1

c1ccc(C2CCc3ccc(OC4CCCCO4)cc3O2)cc1

4 rings, 23 atoms.

7 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.

Symplocoside suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Symplocoside can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Symplocoside 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.

Get latest price

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 Symplocoside is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Symplocoside?

(2S,3R,4S,5S,6R)-2-[[(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol has been reported in Symplocos uniflora and Pseudotsuga menziesii.

What is the CAS number of Symplocoside?

The CAS registry number of Symplocoside is 76502-76-6.

What is the molecular formula and weight of Symplocoside?

The molecular formula of Symplocoside is C22H26O11 and its molar mass is 466.44 g/mol.

Is Symplocoside hazardous?

No GHS hazard classification for Symplocoside 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 Symplocoside?

Symplocoside is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Symplocoside?

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

What is the price of Symplocoside?

Suppliers quote Symplocoside 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 Symplocoside

Get quotes for Symplocoside

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Symplocoside
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Symplocoside with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/symplocoside-76502-76-6" title="Symplocoside structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Flavonoids and polyphenols or HS code 293299

Price on request
Free quotes, contact stays private
Get quotes