Phenylpropanoids

Echinacoside

松果菊苷

PHY-NP-14765 · Natural product research catalog

Catalog number	PHY-NP-14765
CAS number	82854-37-3
Molecular formula	C₃₅H₄₆O₂₀
Molecular weight	786.733 g/mol
Chemical class	Phenylpropanoids
Main reported source	Echinacea angustifolia
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Echinacoside is listed in the Phenylpropanoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

IUPAC name	[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
InChIKey	FSBUXLDOLNLABB-ISAKITKMSA-N
Subclass / scaffold	Cinnamic acids and derivatives Phenylethanoids
PubChem CID	5281771

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	5
Aromatic rings	2
Fraction Csp³	0.571
Synthetic accessibility score	5.37
QED score	0.054
Lipinski rule violations	3
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Phenylethanoids (C6-C2)；Phenylpropanoids (C6-C3)
NPClassifier class	Cinnamic acids and derivatives；Phenylethanoids
Parent SMILES	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Parent formula	C₃₅H₄₆O₂₀
Parent molecular weight	786.733
Specified stereocenters	15
Unspecified stereocenters	0

Main reported source	Echinacea angustifolia
Reported source families	Orobanchaceae; Asteraceae; Scrophulariaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Echinacea angustifolia[13]; Echinacea pallida[11]; Buddleja officinalis[6]; Echinacea purpurea[4]; Cistanche deserticola[3]; Cistanche salsa[3]; Buddleja globosa[2]; Jasminum mesnyi[2]; Marrubium velutinum[2]; Buddleja yunnanensis[1]; Castilleja rubicundula var. lithospermoides[1]; Cistanche mongolica[1]; Digitalis purpurea[1]; Echinacea atrorubens[1]; Echinacea paradoxa[1]
All reported source families	Orobanchaceae[8]; Asteraceae[5]; Scrophulariaceae[4]; Plantaginaceae[4]; Oleaceae[3]; Lamiaceae[2]
LOTUS species records	27
LOTUS reference records	49
COCONUT occurrence records	Buddleja globosa; Buddleja officinalis; Buddleja yunnanensis; Callicarpa kwangtungensis; Castilleja rubicundula var. lithospermoides; Cistanche deserticola; Cistanche mongolica; Cistanche salsa; Cistanche tubulosa; Digitalis purpurea; Echinacea angustifolia; Echinacea atrorubens; Echinacea pallida; Echinacea paradoxa; Echinacea purpurea; Jasminum mesnyi; Ligustrum vulgare; Magnolia sieboldii; Marrubium velutinum; Pedicularis condensata; Pedicularis plicata; Pedicularis striata; Penstemon crandallii; Penstemon secundiflorus; Phlomis brunneogaleata; Plantago maritima; Rehmannia glutinosa; Rosa rugosa; Scolymus hispanicus; Syringa reticulata
COCONUT organism records	31
COCONUT identifier	CNP0142639.1

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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