Guan-fu base A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 11
Total Number of Articles : 7
PubChem 171933553
Molecular Formula

C24H31NO6

SMILES

CC(=O)O[C@H]1C[C@]2(CN3[C@@H]4[C@H]2[C@]5(C1)[C@H]3[C@]6([C@H]([C@H]7[C@H]([C@@H]5[C@]6(C4)CC7=C)O)OC(=O)C)O)C

InChI

InChI=1S/C24H31NO6/c1-10-5-22-8-14-17-21(4)6-13(30-11(2)26)7-23(17)18(22)16(28)15(10)19(31-12(3)27)24(22,29)20(23)25(14)9-21/h13-20,28-29H,1,5-9H2,2-4H3/t13-,14-,15+,16+,17+,18+,19-,20-,21-,22+,23-,24-/m0/s1

synonyms
  • Guan-fu base A
  • 1394-48-5
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Properties
Property Value
MW 429.5 g/mol
HBD 2
HBA 7
Rotatable Bond Count 4
Exact Mass 429.21513771 g/mol
Monoisotopic Mass 429.21513771 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 12
Covalent Unit Count 1
Complexity 966
xlogp 0.6
Topological Polar Surface Area 96.3