ALTERSOLANOL A

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Keyword(s): Natural Toxins
Molecule Category Free-form
UNII ZS3LU23BE3
EPA CompTox DTXSID10891800

Structure

InChI Key VSMBLBOUQJNJIL-JJXSEGSLSA-N
Smiles C[C@]1([C@@H]([C@H](C2=C([C@H]1O)C(=O)C3=CC(=CC(=C3C2=O)O)OC)O)O)O
InChI
InChI=1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20-23H,1-2H3/t13-,14+,15+,16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H16O8
Molecular Weight 336.08
AlogP -1.08
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 144.52
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 22268-16-2
NORMAN SUSDAT
FDA SRS ZS3LU23BE3
PubChem 89644
ChemSpider 80909.0
CONTENTS