Glycosides

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 517
Total Number of Articles : 598
PubChem 637579
Molecular Formula

C29H44O12

SMILES

C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@H]([C@@]3([C@@H]4[C@@H](CC[C@]3(C2)O)[C@@]5(CC[C@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O

InChI

InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15+,16+,17-,18-,19+,21-,22-,23-,24-,25+,26-,27-,28-,29-/m1/s1

synonyms
  • Acocantherin
  • Rectobaina
  • Solufantina
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Properties
Property Value
MW 584.7 g/mol
HBD 8
HBA 12
Rotatable Bond Count 4
Exact Mass 584.28327683 g/mol
Monoisotopic Mass 584.28327683 g/mol
Heavy Atom Count 41
Isotope Atom Count 0
Atom Stereo Count 15
Covalent Unit Count 1
Complexity 1080
xlogp -1.7
Topological Polar Surface Area 207