Structure

InChI Key NNRXCKZMQLFUPL-WBMZRJHASA-N
Smile 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)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChI
InChI=1S/C37H67NO13.C12H22O12/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;3-10,12-20H,1-2H2,(H,21,22)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;3-,4-,5+,6+,7-,8-,9-,10-,12+/m11/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C49H89NO25
Molecular Weight 1092.23
AlogP 1.79
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 193.91
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 51.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial 70S ribosome inhibitor PubMed DailyMed

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 1 1 D003922 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
64.22
Gastrointestinal disorders
10.07
Skin and subcutaneous tissue disorders
9.17
General disorders and administration site conditions
4.05
Respiratory, thoracic and mediastinal disorders
2.37

Cross References

Resources Reference
ChEMBL CHEMBL1200506
FDA SRS 33H58I7GLQ
PubChem 71469
SureChEMBL SCHEMBL41566