Cas no 99753-11-4 (β-D-Glucopyranoside, (2α,3β,25S)-26-(β-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-)

β-D-Glucopyranoside, (2α,3β,25S)-26-(β-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)- structure
99753-11-4 structure
Product Name:β-D-Glucopyranoside, (2α,3β,25S)-26-(β-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-
CAS No:99753-11-4
MF:C45H76O19
MW:921.073556900024
CID:812444
PubChem ID:131752658
Update Time:2024-03-01

β-D-Glucopyranoside, (2α,3β,25S)-26-(β-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)- Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside, (2a,3b,25S)-26-(b-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 4-O-(6-deoxy-a-L-mannopyranosyl)-
    • β-D-Glucopyranoside, (2α,3β,25S)-26-(β-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-
    • CHEBI:197025
    • beta-D-Glucopyranoside, (2alpha,3beta,25S)-26-(beta-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-
    • 99753-11-4
    • 2-[6-[[6,15-dihydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
    • DTXSID901104917
    • Trigofoenoside B
    • Inchi： 1S/C45H76O19/c1-18(17-58-40-36(54)34(52)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-38(56)35(53)39(29(16-47)62-42)63-41-37(55)33(51)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3
    • InChI Key： ZMKYPBQLTKXGFT-UHFFFAOYSA-N
    • SMILES： O1C(CCC(C)COC2C(C(C(C(CO)O2)O)O)O)(C(C)C2C1CC1C3CCC4CC(C(CC4(C)C3CCC12C)O)OC1C(C(C(C(CO)O1)OC1C(C(C(C(C)O1)O)O)O)O)O)O

Computed Properties

  • Exact Mass: 920.49808019g/mol
  • Monoisotopic Mass: 920.49808019g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 12
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 64
  • Rotatable Bond Count: 12
  • Complexity: 1580
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 28
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.3
  • Topological Polar Surface Area: 307?2

β-D-Glucopyranoside, (2α,3β,25S)-26-(β-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)- Related Literature

Related Categories

99753-11-4 (β-D-Glucopyranoside, (2α,3β,25S)-26-(β-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-) Related Products

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