Logo Anses
Logo Interreg

Sordaricin-1-glucose ester

  • Formula: C26H38O9

  • Molecular weight: 494.60

  • Smiles: CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)OC5C(C(C(C(O5)CO)O)O)O)C=O)CO

Download

Sordaricin-1-glucose ester

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

Names

  • Mycotoxin name: Sordaricin-1-glucose ester

  • First synonym: Sordaricin-1-glucose ester

  • Synonyms: Sordaricin-1-glucose ester

Identifiers / External links

Structure

  • Smiles: CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)OC5C(C(C(C(O5)CO)O)O)O)C=O)CO

  • Isomeric smiles: C[C@@H]1CC[C@@H]2[C@@H]1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)OC5C(C(C(C(O5)CO)O)O)O)C=O)CO

  • Inchi: InChI=1S/C26H38O9/c1-12(2)17-6-14-7-25(11-29)16-5-4-13(3)15(16)8-24(14,10-28)26(17,25)23(33)35-22-21(32)20(31)19(30)18(9-27)34-22/h6,11-16,18-22,27-28,30-32H,4-5,7-10H2,1-3H3/t13-,14?,15-,16-,18?,19?,20?,21?,22?,24?,25?,26?/m1/s1

  • Inchikey: OXLNEWBDPBEFFS-VKHADAODSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H38O9

  • Molecular weight: 494.60

  • Monoisotopic mass: 494.25158279

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