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

  Molecular Weight	1420.23762 [g/mol]
  Molecular Formula	C61H88Cl2O33
  XLogP	-1.5
  H-Bond Donor	7
  H-Bond Acceptor	33
  Rotatable Bond Count	20
  Tautomer Count	24
  Exact Mass	1418.458491
  MonoIsotopic Mass	1418.458491
  Topological Polar Surface Area	405
  Heavy Atom Count	96
  Formal Charge	0
  Complexity	2700
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	32
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: [(2S,3R,4R,6R)-6-[(2S,2'S,3'R,3aR,4S,4'R,6R,7S,7aS)-6-[(2R,3R,4S,5S,
  6S)-2-[(2S,3R,4R,5R,6R)-6-[(2R,3aR,3'aR,6R,6'S,7R,7'S,7aR,
  7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-(2-methylpropanoyloxy)spiro[4,6,
  7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-d]pyran-2,4'-6,7a-dihydro-3aH-[1,
  3]dioxolo[4,
  5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-
  3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4',7-dihydroxy-2',4,
  7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-d]pyran-2,
  6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl]
  3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
  Canonical SMILES: CC1C(C(CC(O1)OC2C(OC3(CC2O)OC4C(OC(C(C4(O3)C)O)OC5C(C(OC(C5OC)C)OC6C(OC
  (C(C6O)OC)OC7C(C8C(CO7)OC9(O8)C1C(C(C(O9)C)(C(=O)C)O)OCO1)OC(=O)C(C)C)
  COC)O)C)C)O)OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C
  Isomeric SMILES: C[C@H]1[C@@H]([C@@H](C[C@H](O1)O[C@H]2[C@@H](O[C@@]3(C[C@H]2O)O[C@@H]4
  [C@@H](O[C@@H]([C@H]([C@@]4(O3)C)O)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5OC)
  C)O[C@H]6[C@@H](O[C@@H]([C@@H]([C@@H]6O)OC)O[C@@H]7[C@@H]([C@H]8[C@@H]
  (CO7)O[C@@]9(O8)[C@H]1[C@H]([C@@]([C@@H](O9)C)(C(=O)C)O)OCO1)OC(=O)C(C)
  C)COC)O)C)C)O)OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C
  InChI: InChI=1/C61H88Cl2O33/c1-20(2)52(71)87-47-43-31(93-61(94-43)51-50(79-19-
  80-51)60(73,
  26(8)64)27(9)92-61)18-78-55(47)90-56-46(77-14)37(68)42(30(84-56)17-74-
  11)88-54-38(69)45(41(75-12)23(5)82-54)89-57-48(70)58(10)49(25(7)83-57)
  95-59(96-58)16-29(66)40(24(6)91-59)85-32-15-28(65)39(22(4)81-32)86-53
  (72)33-21(3)34(62)36(67)35(63)44(33)76-13/h20,22-25,27-32,37-43,45-51,
  54-57,65-70,73H,15-19H2,1-14H3/t22-,23-,24-,25-,27-,28-,29-,30-,31+,32+,
  37+,38-,39-,40-,41+,42-,43-,45-,46+,47-,48-,49-,50-,51-,54+,55+,56+,57+,
  58-,59-,60+,61-/m1/s1