Cas no 344911-90-6 (Araloside X)

Araloside X structure
Araloside X structure
Product Name:Araloside X
CAS No:344911-90-6
MF:C60H98O28
MW:1267.40334272385
CID:829332
Update Time:2024-11-01

Araloside X Chemical and Physical Properties

Names and Identifiers

    • Araloside X
    • CongmunosideX
    • Congmunoside X
    • C60H98O28
    • Y0052
    • Araloside Ⅹ
    • Inchi: 1S/C60H98O28/c1-55(2)14-16-60(54(78)88-51-44(76)41(73)36(68)28(21-63)81-51)17-15-58(6)24(25(60)18-55)8-9-32-57(5)12-11-33(56(3,4)31(57)10-13-59(32,58)7)84-53-48(87-50-43(75)40(72)35(67)27(20-62)80-50)47(38(70)30(23-65)83-53)86-52-45(77)46(37(69)29(22-64)82-52)85-49-42(74)39(71)34(66)26(19-61)79-49/h8,25-53,61-77H,9-23H2,1-7H3/t25-,26+,27+,28+,29+,30+,31-,32+,33-,34+,35+,36+,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-,47-,48+,49-,50-,51-,52-,53-,57-,58+,59+,60-/m0/s1
    • InChI Key: WMSZDXQCLFUBAQ-FJNJJAFCSA-N
    • SMILES: O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O)O)O)CCC(C)(C)C[C@H]5C4=CC[C@@H]32)C1(C)C

Computed Properties

  • Exact Mass: 1266.62446247 g/mol
  • Monoisotopic Mass: 1266.62446247 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 17
  • Hydrogen Bond Acceptor Count: 28
  • Heavy Atom Count: 88
  • Rotatable Bond Count: 16
  • Complexity: 2440
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 33
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 453
  • Molecular Weight: 1267.4
  • XLogP3: -0.7

Experimental Properties

  • Color/Form: Powder
  • Density: 1.52±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (1.4E-4 g/L) (25 oC),

Araloside X Pricemore >>

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