Cas no 110352-77-7 (b-D-Glucopyranoside, (3b,16a)-16,28-dihydroxyoleana-11,13(18)-dien-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-[b-D-glucopyranosyl-(1®6)]- (9CI))

b-D-Glucopyranoside, (3b,16a)-16,28-dihydroxyoleana-11,13(18)-dien-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-[b-D-glucopyranosyl-(1®6)]- (9CI) structure
110352-77-7 structure
Product Name:b-D-Glucopyranoside, (3b,16a)-16,28-dihydroxyoleana-11,13(18)-dien-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-[b-D-glucopyranosyl-(1®6)]- (9CI)
CAS No:110352-77-7
MF:C48H78O17
MW:927.122737407684
CID:195394
PubChem ID:441945
Update Time:2025-04-19

b-D-Glucopyranoside, (3b,16a)-16,28-dihydroxyoleana-11,13(18)-dien-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-[b-D-glucopyranosyl-(1®6)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Oleanane,b-D-glucopyranoside deriv.
    • (2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-4,5-dihy
    • 6)]- (9CI)
    • b-D-Glucopyranoside, (3b,16a)-16,28-dihydroxyoleana-11,13(18)-dien-3-yl O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • (2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
    • Q27108209
    • 110352-77-7
    • CHEBI:8997
    • Saikosaponin BK1
    • DTXSID40331683
    • C08976
    • b-D-Glucopyranoside, (3b,16a)-16,28-dihydroxyoleana-11,13(18)-dien-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-[b-D-glucopyranosyl-(1®6)]- (9CI)
    • Inchi： 1S/C48H78O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,25-42,49-59H,11-21H2,1-8H3/t22-,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,45-,46+,47+,48+/m0/s1
    • InChI Key： PYJMYPPFWASOJX-YSNVVKQWSA-N
    • SMILES： 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)O)O)O1)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O)O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)C[C@H]([C@@]5(CO)CCC(C)(C)CC5=C4C=C[C@@H]32)O)C1(C)C

Computed Properties

  • Exact Mass: 926.52390102g/mol
  • Monoisotopic Mass: 926.52390102g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 65
  • Rotatable Bond Count: 9
  • Complexity: 1790
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 23
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 278?2

b-D-Glucopyranoside, (3b,16a)-16,28-dihydroxyoleana-11,13(18)-dien-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-[b-D-glucopyranosyl-(1®6)]- (9CI) Related Literature

Related Categories

110352-77-7 (b-D-Glucopyranoside, (3b,16a)-16,28-dihydroxyoleana-11,13(18)-dien-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-[b-D-glucopyranosyl-(1®6)]- (9CI)) Related Products

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