Biological Magnetic Resonance Data Bank

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


S_b_G_b1_G synonyms


Graphical representations:


View large 3D structure

Molecular Formula: C40H46O17

Natural Isotopic Abundance Mass: 798.78304

Mono-Isotopic Molecular Masses:

  • C12N14: 798.2735000523
  • C13N14: 838.4076935643
  • C12N15: 798.2735000523
  • C13N15: 838.4076935643

InChI string: InChI=1S/C40H46O17/c1-21(41)51-19-30(27-11-13-31(53-23(3)43)33(15-27)47-7)38(54-24(4)44)28-12-14-32(34(16-28)48-8)57-37(20-52-22(2)42)39(55-25(5)45)29-17-35(49-9)40(56-26(6)46)36(18-29)50-10/h11-18,30,37-39H,19-20H2,1-10H3/t30-,37-,38+,39-/m0/s1

USDA_NMR_database: 235

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,