Cas no 103528-50-3 (Ristomycin A aglycone,5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(1-oxodecyl)amino]-b-D-glucopyranosyl]-42-O-a-D-mannopyranosyl-N15-methyl-(9CI))

Ristomycin A aglycone,5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(1-oxodecyl)amino]-b-D-glucopyranosyl]-42-O-a-D-mannopyranosyl-N15-methyl-(9CI) structure
103528-50-3 structure
Product Name:Ristomycin A aglycone,5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(1-oxodecyl)amino]-b-D-glucopyranosyl]-42-O-a-D-mannopyranosyl-N15-methyl-(9CI)
CAS No:103528-50-3
MF:C81H84Cl4N8O29
MW:1775.38187980652
CID:174712
PubChem ID:16131402
Update Time:2025-04-19

Ristomycin A aglycone,5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(1-oxodecyl)amino]-b-D-glucopyranosyl]-42-O-a-D-mannopyranosyl-N15-methyl-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Ristomycin A aglycone,5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(1-oxodecyl)amino]-b-D-glucopyranosyl]-42-O-a-D-mannopyranosyl-N15-methyl-(9CI)
    • kibdelin A
    • Ristomycin A aglycone,5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(1-oxodecyl)amino]-b-D-glucopyranosyl]
    • Ristomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-(2-deoxy-2-((1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosyl-N15-methyl-
    • 103528-50-3
    • Inchi: 1S/C81H84Cl4N8O29/c1-3-4-5-6-7-8-9-10-53(100)87-78-68(106)65(103)40(28-94)80(122-78)121-71-50-22-33-23-51(71)118-70-42(83)19-34(20-43(70)84)64(102)62-77(113)91-60(79(114)115)38-24-35(96)25-49(119-81-69(107)67(105)66(104)52(29-95)120-81)54(38)37-17-30(11-14-44(37)97)57(73(109)93-62)88-74(110)58(33)89-75(111)59-39-26-36(27-46(99)55(39)85)116-48-21-31(12-15-45(48)98)56(86-2)72(108)92-61(76(112)90-59)63(101)32-13-16-47(117-50)41(82)18-32/h11-27,40,52,56-69,78,80-81,86,94-99,101-107H,3-10,28-29H2,1-2H3,(H,87,100)(H,88,110)(H,89,111)(H,90,112)(H,91,113)(H,92,108)(H,93,109)(H,114,115)
    • InChI Key: LBADJJYNXUZTCV-UHFFFAOYSA-N
    • SMILES: ClC1C=C2C=C(C=1OC1=CC3C(C(NC4C(NC(C(NC(C(=O)O)C5=CC(=CC(=C5C5=C(C=CC4=C5)O)OC4C(C(C(C(CO)O4)O)O)O)O)=O)C2O)=O)=O)NC(C2C4C(=C(C=C(C=4)OC4C(=CC=C(C=4)C(C(NC(C(N2)=O)C(C2C=CC(=C(C=2)Cl)OC(C=3)=C1OC1C(CO)C(C(C(NC(CCCCCCCCC)=O)O1)O)O)O)=O)NC)O)O)Cl)=O)Cl

Computed Properties

  • Exact Mass: 1772.41022
  • Monoisotopic Mass: 1772.40983
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 22
  • Hydrogen Bond Acceptor Count: 30
  • Heavy Atom Count: 122
  • Rotatable Bond Count: 17
  • Complexity: 3580
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 19
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 581
  • XLogP3: 3.1

Experimental Properties

  • PSA: 580.63

Ristomycin A aglycone,5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(1-oxodecyl)amino]-b-D-glucopyranosyl]-42-O-a-D-mannopyranosyl-N15-methyl-(9CI) Related Literature

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