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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL455619
CHEMBL455619
Compound Name MULBERROSIDE A
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H32O14

Additional synonyms for CHEMBL455619 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@@H](Oc2ccc(\C=C\c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@ ...
Download SMILES
Standard InChI InChI=1S/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14 ...
Download InChI
Standard InChI Key HPSWAEGGWLOOKT-VUNDNAJOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL455619

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
568.5 568.1792 -2.37 8 239.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 10 3 14 10 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.03 - -2.62 -2.63 2 40 0.15

Structural Alerts

There are 5 structural alerts for CHEMBL455619. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HPSWAEGGWLOOKT-VUNDNAJOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL455619



ACToR 102841-42-9
MolPort MolPort-039-052-276
Nikkaji J1.056.160D J794.548E J838.624B
PubChem 6443484
PubChem: Thomson Pharma 15384303
ZINC ZINC000044359935

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/HPSWAEGGWLOOKT-VUNDNAJOSA-N spacer
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