Certonardoside C
FEATURES
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NAMES
  • Certonardoside C
SMILES
C=C(CC[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@]3(O)C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)CO[C@@H]1OC[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC.[Na+]
InChI
InChI=1S/C39H66O16S.Na/c1-19(21(3)16-51-35-33(31(28(44)18-52-35)55-56(47,48)49)54-36-32(50-6)30(45)27(43)17-53-36)7-8-20(2)23-14-25(41)34-38(23,5)12-10-29-37(4)11-9-22(40)13-24(37)26(42)15-39(29,34)46;/h20-36,40-46H,1,7-18H2,2-6H3,(H,47,48,49);/q;+1/p-1/t20-,21?,22+,23-,24-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35-,36+,37+,38-,39+;/m1./s1
MOLECULAR FORMULA
C39H65NaO16S
CROSS REFERENCES
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Certonardoside C
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight844.39
AlogP-2.27
HBond donors7
HBond acceptors16
Atoms122
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Certonardoside C.