Structure

InChI Key AGOYDEPGAOXOCK-KCBOHYOISA-N
Smiles CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
InChI
InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C38H69NO13
Molecular Weight 747.96
AlogP 2.44
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 182.91
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 52.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR PubMed PubMed DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 56.72-80.47
Helicobacter pylori
- - - - 81.9
Homo sapiens
- - - - 5.1-73.1
Mycobacterium avium
- - - - 95-95
Rattus norvegicus
- - 0.64 - -
Streptococcus pneumoniae
- 90 - - -

Related Entries

Environmental Exposure

Countries
Croatia
Czech Republic
Germany
Hungary
India
Romania
Serbia
Slovakia
Slovenia
South Africa
Sweden
Vietnam

Cross References

Resources Reference
ChEBI 3732
ChEMBL CHEMBL1741
DrugBank DB01211
DrugCentral 668
FDA SRS H1250JIK0A
Human Metabolome Database HMDB0015342
Guide to Pharmacology 10903
KEGG C06912
PDB CTY
PharmGKB PA449028
PubChem 84029
SureChEMBL SCHEMBL38125
ZINC ZINC000085534098