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Compound Detail

CHEMBL448999

OSMANTHUSIDE B
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C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)cc3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL448999
Name OSMANTHUSIDE B
Phase Preclinical
Structure Type MOL
InChI Key PRTREKIVGSNQRM-DQHNYDBYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

592.6
MW (Da)
-0.43
ALogP
13
HBA
7
HBD
204.8
PSA (Ų)
0.14
QED
3
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H36O13
MW 592.59
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness 1.74

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12828473 10.1021/np020568g NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine