• 
  [Synonyms]
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	1172.8269 [g/mol]
  Molecular Formula	C62H90ClNO18
  XLogP	7.14
  H-Bond Donor	8
  H-Bond Acceptor	19
  Rotatable Bond Count	17
  Tautomer Count	2
  Exact Mass	1171.584643
  MonoIsotopic Mass	1171.584643
  Topological Polar Surface Area	268
  Heavy Atom Count	82
  Formal Charge	0
  Complexity	1910
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	2
  Undefined Atom StereoCenter Count	21
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	3

  
  [ Descriptors Computed from Structure]
  IUPAC Name: [6-[6-[6-[[12,14-dihydroxy-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-3-yl]oxy]-4-hydroxy-2-
  methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-
  methyloxan-3-yl] acetate;
  3-[[(1R,
  2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-
  one; hydrochloride
  Canonical SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)
  OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C)O)O.CC(C(C1=CC=CC=C1)O)NCCC(=O)C2=
  CC(=CC=C2)OC.Cl
  Isomeric SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)
  OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C)O)O.C[C@H]([C@@H](C1=CC=CC=C1)O)
  NCCC(=O)C2=CC(=CC=C2)OC.Cl
  InChI: InChI=1/C43H66O15.C19H23NO3.ClH/c1-20-38(55-23(4)44)30(45)17-36(53-20)
  57-40-22(3)54-37(18-32(40)47)58-39-21(2)52-35(16-31(39)46)56-26-9-11-41
  (5)25(14-26)7-8-28-29(41)15-33(48)42(6)27(10-12-43(28,
  42)50)24-13-34(49)51-19-24;1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-
  9-6-10-17(13-16)23-2;/h13,20-22,25-33,35-40,45-48,50H,7-12,14-19H2,
  1-6H3;3-10,13-14,19-20,22H,11-12H2,1-2H3;1H/t;14-,19+;/m.1./s1