Cas no 943914-99-6 ((1beta,3beta,22alpha,25S)-26-(beta-D-Glucopyranosyloxy)-3,22-dihydroxyfurost-5-en-1-yl O-alpha-L-arabinopyranosyl-(1-2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-3)]-6-deoxy-beta-D-Galactopyranoside)

(1beta,3beta,22alpha,25S)-26-(beta-D-Glucopyranosyloxy)-3,22-dihydroxyfurost-5-en-1-yl O-alpha-L-arabinopyranosyl-(1-2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-3)]-6-deoxy-beta-D-Galactopyranoside structure
943914-99-6 structure
Product Name:(1beta,3beta,22alpha,25S)-26-(beta-D-Glucopyranosyloxy)-3,22-dihydroxyfurost-5-en-1-yl O-alpha-L-arabinopyranosyl-(1-2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-3)]-6-deoxy-beta-D-Galactopyranoside
CAS No:943914-99-6
MF:C50H82O22
MW:1035.17289876938
CID:797009
Update Time:2024-03-01

(1beta,3beta,22alpha,25S)-26-(beta-D-Glucopyranosyloxy)-3,22-dihydroxyfurost-5-en-1-yl O-alpha-L-arabinopyranosyl-(1-2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-3)]-6-deoxy-beta-D-Galactopyranoside Chemical and Physical Properties

Names and Identifiers

    • b-D-Galactopyranoside, (1b,3b,22a,25S)-26-(b-D-glucopyranosyloxy)-3,22-dihydroxyfurost-5-en-1-yl O-a-L-arabinopyranosyl-(1&re
    • OPHIOPOGONIN A
    • b-D-Galactopyranoside, (1b,3b,22a,25S)-26-(b-D-glucopyranosyloxy)-3,22-dihydroxyfurost-5-en-1-yl O-a-L-arabinopyranosyl-(1&reg
    • (1beta,3beta,22alpha,25S)-26-(beta-D-Glucopyranosyloxy)-3,22-dihydroxyfurost-5-en-1-yl O-alpha-L-arabinopyranosyl-(1-2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-3)]-6-deoxy-beta-D-Galactopyranoside
    • CID 131863857
    • PubChem ID: 131863857
    • (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-6,16-dihydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-en-14-yl]oxy]-5-hydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
    • Ophiopogoside A
    • β-D-Galactopyranoside, (1β,3β,22α,25S)-26-(β-D-glucopyranosyloxy)-3,22-dihydroxyfurost-5-en-1-yl O-α-L-arabinopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→3)]-6-deoxy-
    • Inchi: 1S/C50H82O22/c1-19(17-64-44-40(61)38(59)36(57)30(16-51)68-44)9-12-50(63)20(2)32-29(72-50)15-27-25-8-7-23-13-24(52)14-31(49(23,6)26(25)10-11-48(27,32)5)69-47-43(71-45-39(60)35(56)28(53)18-65-45)42(34(55)22(4)67-47)70-46-41(62)37(58)33(54)21(3)66-46/h7,19-22,24-47,51-63H,8-18H2,1-6H3/t19-,20-,21-,22+,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+/m0/s1
    • InChI Key: QHSQBVMGDKVQGN-HIQNNYLPSA-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@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](C[C@H]([C@]4(C)[C@H]3CC[C@@]12C)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](C)O1)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O)O

Computed Properties

  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 72
  • Rotatable Bond Count: 13
  • Complexity: 1880
  • Topological Polar Surface Area: 346

Experimental Properties

  • Density: 1.48
  • pka: 12.93±0.70(Predicted)

(1beta,3beta,22alpha,25S)-26-(beta-D-Glucopyranosyloxy)-3,22-dihydroxyfurost-5-en-1-yl O-alpha-L-arabinopyranosyl-(1-2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-3)]-6-deoxy-beta-D-Galactopyranoside Related Literature

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