Cas no 81855-43-8 (b-D-Glucopyranoside,1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-1,5-diyl bis-,(1S,4aR,5S,7aS)- (9CI))

b-D-Glucopyranoside,1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-1,5-diyl bis-,(1S,4aR,5S,7aS)- (9CI) structure
81855-43-8 structure
Product Name:b-D-Glucopyranoside,1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-1,5-diyl bis-,(1S,4aR,5S,7aS)- (9CI)
CAS No:81855-43-8
MF:C21H32O14
MW:508.470388412476
CID:729355
PubChem ID:158002
Update Time:2025-04-19

b-D-Glucopyranoside,1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-1,5-diyl bis-,(1S,4aR,5S,7aS)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside,1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-1,5-diyl bis-,(1S,4aR,5S,7aS)- (9CI)
    • DTXSID501002272
    • 6-O-beta-Glucopyranosylaucubin
    • 81855-43-8
    • 5-(Hexopyranosyloxy)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl hexopyranoside
    • beta-D-Glucopyranoside, 1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta(c)pyran-1,5-diyl bis-, (1S,4aR,5S,7aS)-
    • Inchi： 1S/C21H32O14/c22-4-7-3-9(32-20-17(29)15(27)13(25)10(5-23)33-20)8-1-2-31-19(12(7)8)35-21-18(30)16(28)14(26)11(6-24)34-21/h1-3,8-30H,4-6H2/t8-,9+,10+,11+,12+,13+,14+,15-,16-,17+,18+,19-,20-,21-/m0/s1
    • InChI Key： YJWAGHITGKROID-PORUDVBBSA-N
    • SMILES： O([C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@@H]1C=C(CO)[C@H]2[C@@H](OC=C[C@H]21)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

Computed Properties

  • Exact Mass: 508.17920569g/mol
  • Monoisotopic Mass: 508.17920569g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 7
  • Complexity: 777
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 14
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.6
  • Topological Polar Surface Area: 228?2

b-D-Glucopyranoside,1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-1,5-diyl bis-,(1S,4aR,5S,7aS)- (9CI) Related Literature

81855-43-8 (b-D-Glucopyranoside,1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-1,5-diyl bis-,(1S,4aR,5S,7aS)- (9CI)) Related Products

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