Cas no 60478-70-8 ((3beta,14xi,22R,25S)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranoside)

(3beta,14xi,22R,25S)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranoside structure
60478-70-8 structure
Product Name:(3beta,14xi,22R,25S)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranoside
CAS No:60478-70-8
MF:C52H86O22
MW:1063.2260594368
CID:1620381
PubChem ID:500376
Update Time:2025-04-21

(3beta,14xi,22R,25S)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranoside Chemical and Physical Properties

Names and Identifiers

    • (3beta,14xi,22R,25S)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranoside
    • LogP
    • DTXSID301099740
    • (3beta,22alpha,25S)-26-(beta-D-Glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-->4)]-beta-D-glucopyranoside
    • 2-[4-hydroxy-2-(hydroxymethyl)-6-[methoxy-trimethyl-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butyl][?]yl]oxy-5-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
    • Yamogenintetroside B
    • NSC698791
    • 2-[4-Hydroxy-2-(hydroxymethyl)-6-[[6-methoxy-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]icos-18-en-16-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
    • 26-(Hexopyranosyloxy)-22-methoxyfurost-5-en-3-yl 2,4-bis-O-(6-deoxyhexopyranosyl)hexopyranoside
    • Neuro_000495
    • 54522-52-0
    • Methyl protodioscin
    • 60478-70-8
    • AC-34335
    • NSC698790
    • NSC-698790;Smilax saponin B
    • Methylprotodioscin
    • (-)-Methylprotodioscin
    • Smilax saponin B
    • 22-O-Methylprotodioscin
    • Methyl protoneodioscin
    • Inchi: 1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3
    • InChI Key: HSSJYSJXBOCKQM-UHFFFAOYSA-N
    • SMILES: O1C(CCC(C)COC2C(C(C(C(CO)O2)O)O)O)(C(C)C2C1CC1C3CC=C4CC(CCC4(C)C3CCC12C)OC1C(C(C(C(CO)O1)OC1C(C(C(C(C)O1)O)O)O)O)OC1C(C(C(C(C)O1)O)O)O)OC

Computed Properties

  • Exact Mass: 1062.56107437g/mol
  • Monoisotopic Mass: 1062.56107437g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 12
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 74
  • Rotatable Bond Count: 15
  • Complexity: 1920
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 31
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.7
  • Topological Polar Surface Area: 335?2
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