Logo Anses
Logo Interreg

6'-dehydroxyghalakinoside

  • Formula: C29H42O10

  • Molecular weight: 550.60

  • Smiles: CC1CC(C2(C(O1)OC3CC4CCC5C(C4(CC3O2)CO)CC(C6(C5(CCC6C7=CC(=O)OC7)O)C)O)O)O

Download

6'-dehydroxyghalakinoside

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: 6'-dehydroxyghalakinoside

  • First synonym: 6'-dehydroxyghalakinoside

  • Synonyms: 6'-dehydroxyghalakinoside,6-Dehydroxyghalakinoside,CHEMBL469426

Identifiers / External links

Structure

  • Smiles: CC1CC(C2(C(O1)OC3CC4CCC5C(C4(CC3O2)CO)CC(C6(C5(CCC6C7=CC(=O)OC7)O)C)O)O)O

  • Isomeric smiles: C[C@@H]1C[C@H]([C@]2([C@@H](O1)O[C@@H]3C[C@@H]4CC[C@@H]5[C@@H]([C@]4(C[C@H]3O2)CO)C[C@H]([C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)O)O

  • Inchi: InChI=1S/C29H42O10/c1-14-7-23(32)29(35)25(37-14)38-20-9-16-3-4-18-19(27(16,13-30)11-21(20)39-29)10-22(31)26(2)17(5-6-28(18,26)34)15-8-24(33)36-12-15/h8,14,16-23,25,30-32,34-35H,3-7,9-13H2,1-2H3/t14-,16+,17-,18-,19+,20-,21-,22-,23-,25+,26+,27-,28+,29+/m1/s1

  • Inchikey: RGJSIZOZMBPAIL-YUVWTAJSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H42O10

  • Molecular weight: 550.60

  • Monoisotopic mass: 550.27779753

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi