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Glycosides and other natural products

Orb2813764

Also known as 3'-Hydroxytectorigenin-7-o-beta-d-xylosyl-(1->6)-beta-d-glucopyranoside, 3 inverted exclamation marka-Hydroxytectorigenin-7-O-|A-D-xylosyl-(1 inverted exclamation marku6)-|A-D-glucopyranoside, 3'-Hydroxytectorigenin-7-O-|A-D-xylosyl-(1 inverted exclamation marku6)-|A-D-glucopyranoside

CAS 2408020-53-9Formula C27H30O16Molar mass 610.52 g/mol
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Orb2813764 chemical structure, C27H30O16, CAS 2408020-53-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2408020-53-9
Formula
C27H30O16
Molar mass
610.52 g/mol
HS code
293890
Category
Glycosides and other natural products

What is Orb2813764?

Plain description, key identifiers and synonyms

Orb2813764 is a chemical substance with the molecular formula C27H30O16 and a molar mass of 610.52 g/mol. Its CAS registry number is 2408020-53-9. The IUPAC name is 3-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
CAS number
2408020-53-9
Molecular formula
C27H30O16
InChIKey
HVHXPWDRDIDQCM-YUPZTAPUSA-N
InChI
InChI=1S/C27H30O16/c1-38-25-15(5-14-17(21(25)34)18(31)10(6-39-14)9-2-3-11(28)12(29)4-9)42-27-24(37)22(35)20(33)16(43-27)8-41-26-23(36)19(32)13(30)7-40-26/h2-6,13,16,19-20,22-24,26-30,32-37H,7-8H2,1H3/t13-,16-,19+,20-,22+,23-,24-,26+,27-/m1/s1
Canonical SMILES
COc1c(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O
Isomeric SMILES
COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O

Synonyms

  • 3'-Hydroxytectorigenin-7-o-beta-d-xylosyl-(1->6)-beta-d-glucopyranoside
  • 3 inverted exclamation marka-Hydroxytectorigenin-7-O-|A-D-xylosyl-(1 inverted exclamation marku6)-|A-D-glucopyranoside
  • 3'-Hydroxytectorigenin-7-O-|A-D-xylosyl-(1 inverted exclamation marku6)-|A-D-glucopyranoside
  • 3-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(6-O-|A-D-xylopyranosyl-|A-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one

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
610.52 g/molcalc.
Exact mass
610.1534 Dacalc.
LogP (octanol/water)
-1.77calc.
Topological polar surface area
258.4 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
16calc.
Rotatable bonds
7calc.
Heavy atoms
43calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
9calc.
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=c1c(-c2ccccc2)coc2cc(OC3CCCC(COC4CCCCO4)O3)ccc12

O=c1c(-c2ccccc2)coc2cc(OC3CCCC(COC4CCCCO4)O3)ccc12

5 rings, 32 atoms.

15 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.

Orb2813764 suppliers

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Orb2813764 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 Orb2813764 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 Orb2813764 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2813764, based on the data on this page

What is Orb2813764?

Orb2813764 is a chemical substance with the molecular formula C27H30O16 and a molar mass of 610.52 g/mol. Its CAS registry number is 2408020-53-9.

What is the CAS number of Orb2813764?

The CAS registry number of Orb2813764 is 2408020-53-9.

What is the molecular formula and weight of Orb2813764?

The molecular formula of Orb2813764 is C27H30O16 and its molar mass is 610.52 g/mol.

Is Orb2813764 hazardous?

No GHS hazard classification for Orb2813764 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 Orb2813764?

Orb2813764 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 Orb2813764?

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What is the price of Orb2813764?

Suppliers quote Orb2813764 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

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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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