Structure

InChI Key YJQPYGGHQPGBLI-KGSXXDOSSA-N
Smile CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
InChI
InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H36N2O11
Molecular Weight 612.63
AlogP 3.63
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 8.0
Polar Surface Area 200.01
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 44.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 28368
ChEMBL CHEMBL36506
DrugBank DB01051
DrugCentral 1974
EPA CompTox DTXSID3041083
FDA SRS 17EC19951N
Human Metabolome Database HMDB0015185
KEGG C05080
PDB NOV
PubChem 54675769
SureChEMBL SCHEMBL24805
ZINC ZINC000014879999