Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


G_bt_S_bt_G synonyms


Graphical representations:


View large 3D structure

Molecular Formula: C38H44O16

Natural Isotopic Abundance Mass: 756.74636

Mono-Isotopic Molecular Masses:

  • C12N14: 756.262935366
  • C13N14: 794.3904192024
  • C12N15: 756.262935366
  • C13N15: 794.3904192024

InChI string: InChI=1/C38H44O16/c1-21(39)48-19-34(53-29-13-11-10-12-28(29)44-6)37(52-25(5)43)27-17-32(46-8)38(33(18-27)47-9)54-35(20-49-22(2)40)36(51-24(4)42)26-14-15-30(50-23(3)41)31(16-26)45-7/h10-18,34-37H,19-20H2,1-9H3

USDA_NMR_database: 226

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,