Anthraquinones

Chrysophanol triglucoside

大黄酚-1-O-β-三葡萄糖苷

PHY-NP-15398 · Natural product research catalog

Catalog number	PHY-NP-15398
CAS number	120181-07-9
Molecular formula	C₃₃H₄₀O₁₉
Molecular weight	740.664 g/mol
Chemical class	Anthraquinones
Main reported source	Senna obtusifolia
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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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

Chrysophanol triglucoside is listed in the Anthraquinones 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	1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methylanthracene-9,10-dione
SMILES	CC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)C(=O)C6=C(C2=O)C=CC=C6O
InChIKey	SOWISUOFXLRAML-VULFOYAMSA-N
Subclass / scaffold	Anthraquinones and anthrones
PubChem CID	5317697

Computed properties

Exact mass (Da)	740.2164	Predicted LogP	-4.6969
Predicted TPSA (Å²)	312.05	H-bond donors	11
H-bond acceptors	19	Rotatable bonds	9

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

View additional properties & classification

Ring count	6
Aromatic rings	2
Fraction Csp³	0.576
Synthetic accessibility score	5.25
QED score	0.098
Lipinski rule violations	3
NPClassifier pathway	Polyketides
NPClassifier superclass	Polycyclic aromatic polyketides
NPClassifier class	Anthraquinones and anthrones
Parent SMILES	Cc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cccc(O)c1C2=O
Parent formula	C₃₃H₄₀O₁₉
Parent molecular weight	740.664
Specified stereocenters	15
Unspecified stereocenters	0

Reported natural occurrence

Main reported source	Senna obtusifolia
Reported source families	Fabaceae

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

View occurrence records & references

LOTUS / Wikidata species	Senna obtusifolia[1]; Senna tora[1]
All reported source families	Fabaceae[2]
LOTUS species records	2
LOTUS reference records	2
COCONUT occurrence records	Senna obtusifolia; Senna tora
COCONUT organism records	2
COCONUT identifier	CNP0108302.3

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.