Structure

InChI Key JMZOMFYRADAWOG-UHFFFAOYSA-N
Smile COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2
InChI
InChI=1S/C20H18O10/c1-23-11-5-9(19(21)25-3)13(17-15(11)27-7-29-17)14-10(20(22)26-4)6-12(24-2)16-18(14)30-8-28-16/h5-6H,7-8H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H18O10
Molecular Weight 418.35
AlogP 2.4
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 107.98
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Liver Cirrhosis 1 D008103 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL105184
EPA CompTox DTXSID40223736
FDA SRS 0G32E321W1
PubChem 108213
SureChEMBL SCHEMBL896166
ZINC ZINC000012153845