Glycyrrhizic Acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 586
Total Number of Articles : 657
PubChem 14982
Molecular Formula

C42H62O16

SMILES

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O

InChI

InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1

synonyms
  • Glycyrrhizic acid
  • glycyrrhizin
  • 1405-86-3
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Properties
Property Value
MW 822.9 g/mol
HBD 8
HBA 16
Rotatable Bond Count 7
Exact Mass 822.40378589 g/mol
Monoisotopic Mass 822.40378589 g/mol
Heavy Atom Count 58
Isotope Atom Count 0
Atom Stereo Count 19
Covalent Unit Count 1
Complexity 1730
xlogp 3.7
Topological Polar Surface Area 267