Isoflavones

Calycosin 7-O-xylosylglucoside

3’-羟基苦参醇O

PHY-NP-05526 · Natural product research catalog

Catalog number	PHY-NP-05526
CAS number	224957-12-4
Molecular formula	C₂₇H₃₀O₁₄
Molecular weight	578.523 g/mol
Chemical class	Isoflavones
Main reported source	Abelia chinensis
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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5 mg	Request quote	To be confirmed	Confirm in quotation
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20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Product information

Calycosin 7-O-xylosylglucoside is listed in the Isoflavones 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.

Names & identifiers

IUPAC name	3-(3-hydroxy-4-methoxyphenyl)-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
SMILES	COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)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)O
InChIKey	UJFILKCKDPSIPS-FGXGINFVSA-N
Subclass / scaffold	Isoflavones
PubChem CID	73603980

Computed properties

Exact mass (Da)	578.1636	Predicted LogP	-1.1838
Predicted TPSA (Å²)	217.97	H-bond donors	7
H-bond acceptors	14	Rotatable bonds	7

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	4.53
QED score	0.176
Lipinski rule violations	3
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Isoflavonoids
NPClassifier class	Isoflavones
Parent SMILES	COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1O
Parent formula	C₂₇H₃₀O₁₄
Parent molecular weight	578.523
Specified stereocenters	9
Unspecified stereocenters	0

Reported natural occurrence

Main reported source	Abelia chinensis

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

View occurrence records & references

LOTUS species records	0
LOTUS reference records	0
COCONUT occurrence records	Abelia chinensis; Aplophyllum alberti-regelii; Asimina parviflora; Atraphaxis spinosa; Baccharis neglecta; Centaurea maculosa; Chondrodendron tomentosum; Clerodendrum bungei; Conus mus; Cordia leucocephala; Dendronephthya griffini; Diospyros assimilis; Dolabella californica; Embelia parviflora; Embelia schimperi; Ephedra sinica; Epilobium hirsutum; Eria anomala; Erysimum leptophyllum; Erythrina melanacantha; Esenbeckia leiocarpa; Euphorbia nematocypha; Faramea salicifolia; Gymnocalycium schickendantzii; Haplophyllum obtusifolium; Helichrysum tenuifolium; Hypericum styphelioides; Latrunculia magnifica; Lemaireocereus longispinus; Lycogala epidendrum
COCONUT organism records	50
COCONUT identifier	CNP0161449.1

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

Documents & specifications

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

Request applicable documentation and handling information before ordering or use.