Cas no 96351-52-9 (Protoyuccoside H (9CI))

Protoyuccoside H (9CI) structure
Protoyuccoside H (9CI) structure
Product Name:Protoyuccoside H (9CI)
CAS No:96351-52-9
MF:C69H116O39
MW:1569.63596725464
CID:819460
PubChem ID:3086427
Update Time:2025-04-19

Protoyuccoside H (9CI) Chemical and Physical Properties

Names and Identifiers

    • Protoyuccoside H (9CI)
    • 96351-52-9
    • Protoyuccoside H
    • Inchi： 1S/C69H116O39/c1-23(21-94-60-50(87)43(80)39(76)31(15-70)97-60)7-12-69(93)24(2)38-30(108-69)14-29-27-6-5-25-13-26(8-10-67(25,3)28(27)9-11-68(29,38)4)96-62-54(91)48(85)58(36(20-75)101-62)106-66-59(107-65-55(92)49(86)57(35(19-74)102-65)105-64-52(89)45(82)41(78)33(17-72)99-64)46(83)42(79)37(103-66)22-95-61-53(90)47(84)56(34(18-73)100-61)104-63-51(88)44(81)40(77)32(16-71)98-63/h23-66,70-93H,5-22H2,1-4H3/t23-,24?,25-,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-,54-,55-,56+,57+,58-,59-,60-,61-,62-,63+,64+,65-,66+,67+,68+,69-/m1/s1
    • InChI Key： BKSZALUUQJKDOV-GAIZPTLOSA-N
    • SMILES： O1[C@](CC[C@@H](C)CO[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)(C(C)C2C1CC1C3CC[C@@H]4C[C@H](CC[C@]4(C)C3CC[C@@]12C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]2[C@@H]([C@H]([C@H]([C@@H](CO)O2)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O)O)O1)O)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)O)O)O

Computed Properties

  • Exact Mass: 1568.7093739g/mol
  • Monoisotopic Mass: 1568.7093739g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 24
  • Hydrogen Bond Acceptor Count: 39
  • Heavy Atom Count: 108
  • Rotatable Bond Count: 25
  • Complexity: 2850
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 42
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -7.9
  • Topological Polar Surface Area: 624?2

Protoyuccoside H (9CI) Related Literature

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