Flavonoids

Vitexin 2''-O-rhamnoside

牡荆素鼠李糖苷

PHY-NP-17513 · Natural product research catalog

Catalog number	PHY-NP-17513
CAS number	64820-99-1
Molecular formula	C₂₇H₃₀O₁₄
Molecular weight	578.523 g/mol
Chemical class	Flavonoids
Main reported source	Crataegus monogyna
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Vitexin 2''-O-rhamnoside is listed in the Flavonoids 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	8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O
InChIKey	LYGPBZVKGHHTIE-HUBYJIGHSA-N
Subclass / scaffold	Flavones
PubChem CID	5282151

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

View additional properties & classification

Ring count	5
Aromatic rings	3
Fraction Csp³	0.444
Synthetic accessibility score	4.73
QED score	0.175
Lipinski rule violations	3
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Flavonoids
NPClassifier class	Flavones
Parent SMILES	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@H](O)[C@H]1O
Parent formula	C₂₇H₃₀O₁₄
Parent molecular weight	578.523
Specified stereocenters	10
Unspecified stereocenters	0

Main reported source	Crataegus monogyna
Reported source families	Rosaceae; Asteraceae; Rutaceae

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

View occurrence records & references

LOTUS / Wikidata species	Crataegus monogyna[2]; Crataegus oxyacantha L. (1753)[2]; Crataegus pinnatifida[2]; Artemisia apiacea[1]; Artemisia caruifolia[1]; Artemisia carvifolia[1]; Citrus japonica[1]; Cotoneaster orbicularis[1]; Crataegus laevigata[1]; Dacrycarpus dacrydioides[1]; Diospyros kaki[1]; Euchresta tubulosa[1]; Machilus japonica[1]; Passiflora coactilis[1]; Passiflora palmeri[1]
All reported source families	Rosaceae[6]; Asteraceae[3]; Rutaceae[2]; Fabaceae[2]; Passifloraceae[2]; Podocarpaceae[1]
Genus / family records	Crataegus[1]; cumquat[1]
LOTUS species records	17
LOTUS reference records	16
COCONUT occurrence records	Artemisia apiacea; Artemisia caruifolia; Artemisia carvifolia; Avena sp.; Citrus japonica; Cotoneaster orbicularis; Crataegus; Crataegus laevigata; Crataegus monogyna; Crataegus oxyacantha L. (1753); Crataegus pinnatifida; Crataegus sp.; Cycas revoluta; Dacrycarpus dacrydioides; Diospyros kaki; Euchresta tubulosa; Fortunella Japonica; Glycine sp.; Grataegus pinnatifida; Kumquat; Machilus japonica; Parkinsonia aculeata; Passiflora coactilis; Passiflora palmeri; Piper umbellatum; Pyrrosia lingua; Pyrrosia petiolosa; Pyrrosia sheareri; Pyrrosia tricuspis; Ruscus aculeatus
COCONUT organism records	33
COCONUT identifier	CNP0110327.1

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
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