Structure

InChI Key QTENRWWVYAAPBI-YCRXJPFRSA-N
Smiles CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O
InChI
InChI=1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m00.../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H84N14O36S3
Molecular Weight 1457.4
AlogP -8.16
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 12.0
Number of Rotational Bond 9.0
Polar Surface Area 336.43
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 40.0

Bioactivity

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR FDA PubMed
Assay Description Organism Bioactivity Reference
Antibacterial activity against Agrobacterium tumefaciens ATCC 11158 by broth dilution colorimetric assay Agrobacterium tumefaciens 1.4 ug.mL-1
Antibacterial activity against Bacillus subtilis ATCC 11562 by broth dilution colorimetric assay Bacillus subtilis 1.4 ug.mL-1
Antibacterial activity against Pseudomonas lachrymans ATCC 11921 by broth dilution colorimetric assay Pseudomonas amygdali pv. lachrymans 2.3 ug.mL-1
Antibacterial activity against Ralstonia solanacearum ATCC 11696 by broth dilution colorimetric assay Ralstonia solanacearum K60-1 1.2 ug.mL-1
Antibacterial activity against Staphylococcus haemolyticus ATCC 29970 by broth dilution colorimetric assay Staphylococcus haemolyticus 1.4 ug.mL-1
Antibacterial activity against Xanthomonas vesicatoria ATCC 11633 by broth dilution colorimetric assay Xanthomonas euvesicatoria 2.6 ug.mL-1

Cross References

Resources Reference
ChEBI 32158
ChEMBL CHEMBL3184791
FDA SRS CW25IKJ202
PubChem 19648
SureChEMBL SCHEMBL4960167