D-Lyxoside

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 49769062
Molecular Formula

C38H61NO9

SMILES

CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CN([C@H]6[C@H]([C@H]([C@@H](CO6)O)O)O)OC)C)C(=O)O

InChI

InChI=1S/C38H61NO9/c1-21(2)22-11-16-38(33(44)45)18-17-36(6)23(29(22)38)9-10-26-35(5)14-13-27(34(3,4)25(35)12-15-37(26,36)7)48-28(41)19-39(46-8)32-31(43)30(42)24(40)20-47-32/h22-27,29-32,40,42-43H,1,9-20H2,2-8H3,(H,44,45)/t22-,23?,24+,25?,26?,27-,29?,30-,31-,32+,35-,36+,37+,38-/m0/s1

synonyms
  • D-Lyxoside
  • BA22
  • (3S)-O-(N-Methoxy-N-D-lyxosylglycyl)betulinic acid
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Properties
Property Value
MW 675.9 g/mol
HBD 4
HBA 10
Rotatable Bond Count 8
Exact Mass 675.43463252 g/mol
Monoisotopic Mass 675.43463252 g/mol
Heavy Atom Count 48
Isotope Atom Count 0
Atom Stereo Count 14
Covalent Unit Count 1
Complexity 1290
xlogp 4.6
Topological Polar Surface Area 146