• 
  [Synonyms]
  Adigoside
  LS-52402
  Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-beta-D-lyxo-hexopyranosyl)oxy)-14-hydroxy-16-(3-methyl-1-oxobutoxy)-, (3-beta,5-beta,16-beta)-
  14259-51-9
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	618.79786 [g/mol]
  Molecular Formula	C35H54O9
  XLogP	5
  H-Bond Donor	2
  H-Bond Acceptor	9
  Rotatable Bond Count	8
  Exact Mass	618.376783
  MonoIsotopic Mass	618.376783
  Topological Polar Surface Area	121
  Heavy Atom Count	44
  Formal Charge	0
  Complexity	1140
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	13
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: [14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,
  13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,
  17-tetradecahydrocyclopenta[a]phenanthren-16-yl] 3-methylbutanoate
  Canonical SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)CC(C)C)
  O)C)C)OC)O
  InChI: InChI=1/C35H54O9/c1-19(2)13-29(37)44-27-17-35(39)25-8-7-22-15-23(43-30-
  16-26(40-6)32(38)20(3)42-30)9-11-33(22,4)24(25)10-12-34(35,
  5)31(27)21-14-28(36)41-18-21/h14,19-20,22-27,30-32,38-39H,7-13,15-18H2,
  1-6H3