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Flavonoids

Gelomuloside B

白树黄酮苷B

PHY-NP-17332 · Natural product research catalog

Catalog numberPHY-NP-17332
CAS number149998-39-0
Molecular formulaC28H32O15
Molecular weight608.549 g/mol
Chemical classFlavonoids
Main reported sourceSuregada multiflora
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Gelomuloside B

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Product information

Gelomuloside B 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.

Names & identifiers

IUPAC name6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O
InChIKeyFLNGHKQBVLFAGJ-IIYXSDHHSA-N
Subclass / scaffoldFlavones
PubChem CID102147924

Computed properties

Exact mass (Da)608.1741Predicted LogP-1.1752
Predicted TPSA (Ų)227.2H-bond donors7
H-bond acceptors15Rotatable bonds8

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

View additional properties & classification
Ring count5
Aromatic rings3
Fraction Csp³0.464
Synthetic accessibility score4.58
QED score0.16
Lipinski rule violations3
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassFlavonoids
NPClassifier classFlavones
Parent SMILESCOc1ccc(-c2cc(=O)c3c(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc3o2)cc1
Parent formulaC28H32O15
Parent molecular weight608.549
Specified stereocenters9
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceSuregada multiflora
Reported source familiesEuphorbiaceae

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

View occurrence records & references
LOTUS / Wikidata speciesSuregada multiflora[1]
All reported source familiesEuphorbiaceae[1]
LOTUS species records1
LOTUS reference records1
COCONUT occurrence recordsSuregada multiflora
COCONUT organism records1
COCONUT identifierCNP0198574.1

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 / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.