swertiamarin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 71
Total Number of Articles : 34
PubChem 442435
Molecular Formula

C16H22O10

SMILES

C=C[C@H]1[C@@H](OC=C2[C@]1(CCOC2=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1

synonyms
  • Swertiamarin
  • 17388-39-5
  • Swertiamarine
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Properties
Property Value
MW 374.34 g/mol
HBD 5
HBA 10
Rotatable Bond Count 4
Exact Mass 374.12129689 g/mol
Monoisotopic Mass 374.12129689 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 592
xlogp -2
Topological Polar Surface Area 155