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Compound Detail

CHEMBL509907

YADANZIOSIDE F
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COC(=O)[C@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)[C@@H](C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(C)=O)[C@@H]24

Basic Information

ChEMBL ID CHEMBL509907
Name YADANZIOSIDE F
Phase Preclinical
Structure Type MOL
InChI Key BYBDRFPMKPUWDZ-FDSGHLLVSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

642.6
MW (Da)
-3.31
ALogP
16
HBA
6
HBD
245.0
PSA (Ų)
0.13
QED
3
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H38O16
MW 642.61
Aromatic Rings 0
Heavy Atoms 45
NP-Likeness 3.35

Activity Summary

EC50 1 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20050684 10.1021/jf903434h Tobacco mosaic virus 2
- 10.1016/0960-894X(96)00096-0 H9 1
- 10.1016/0960-894X(96)00096-0 Human immunodeficiency virus 1 1
- 10.1016/0960-894X(96)00096-0 ADMET 1
3298551 10.1021/np50049a007 Plasmodium falciparum 1
- 10.1007/s00044-011-9767-1 Entamoeba histolytica 1

Data from ChEMBL 36 via Core Engine