Structure

InChI Key GUBGYTABKSRVRQ-QUYVBRFLSA-N
Smile OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H22O11
Molecular Weight 342.3
AlogP -5.4
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 4.0
Polar Surface Area 189.53
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Bipolar Disorder 3 D001714 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 69-79-4
ChEBI 18147
ChEMBL CHEMBL1908365
DrugCentral 1628
EPA CompTox DTXSID1023233
FDA SRS R4B6462NGR
KEGG C01971
SureChEMBL SCHEMBL15064
ZINC ZINC000004095762