swertiapuniside

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 5487497
Molecular Formula

C26H30O16

SMILES

COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O

InChI

InChI=1S/C26H30O16/c1-37-8-4-10(29)15-12(5-8)39-24-9(28)2-3-11(16(24)19(15)32)40-26-23(36)21(34)18(31)14(42-26)7-38-25-22(35)20(33)17(30)13(6-27)41-25/h2-5,13-14,17-18,20-23,25-31,33-36H,6-7H2,1H3/t13-,14-,17-,18-,20+,21+,22-,23-,25-,26-/m1/s1

synonyms
  • Swertiapuniside
  • 143986-29-2
  • Swertia-puniside
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Properties
Property Value
MW 598.5 g/mol
HBD 9
HBA 16
Rotatable Bond Count 7
Exact Mass 598.15338487 g/mol
Monoisotopic Mass 598.15338487 g/mol
Heavy Atom Count 42
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 925
xlogp -1.5
Topological Polar Surface Area 255