Cas no 99759-19-0 (b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl 4-O-b-D-glucopyranosyl-)

b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl 4-O-b-D-glucopyranosyl- structure
99759-19-0 structure
Product Name:b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl 4-O-b-D-glucopyranosyl-
CAS No:99759-19-0
MF:C39H64O13
MW:740.917674064636
CID:805776
PubChem ID:9896801
Update Time:2025-04-19

b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl 4-O-b-D-glucopyranosyl- Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl 4-O-b-D-glucopyranosyl-
    • TIQUESIDE
    • SCHEMBL114103
    • b-D-Glucopyranoside,(3b,5a,25r)-spirostan-3-yl 4-O-b-D-glucopyranosyl-
    • Q27252173
    • 99759-19-0
    • CP-88,818
    • CHEMBL4297143
    • BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,5.ALPHA.,25R)-SPIROSTAN-3-YL 4-O-.BETA.-D-GLUCOPYRANOSYL-
    • 1AW8P77HKJ
    • (25R)-5alpha-Spirostan-3beta-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
    • D06165
    • beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl 4-O-beta-D-glucopyranosyl-
    • Tiqueside [USAN:INN]
    • Tiqueside (USAN/INN)
    • UNII-1AW8P77HKJ
    • CP 88818; Tigogenin cellobioside; Tigogenyl -cellobioside
    • TIQUESIDE [INN]
    • (3beta,5alpha,25R)-spirostan-3-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
    • TIQUESIDE [USAN]
    • CP-88818
    • Inchi： 1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h18-36,40-46H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38+,39-/m1/s1
    • InChI Key： GUSVHVVOABZHAH-OPZWKQDFSA-N
    • SMILES： O1[C@]2(CC[C@@H](C)CO2)[C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O

Computed Properties

  • Exact Mass: 740.43500
  • Monoisotopic Mass: 740.435
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 6
  • Complexity: 1270
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 22
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 197A^2
  • XLogP3: 2.8

Experimental Properties

  • Density: 1.36
  • Boiling Point: 862.8°Cat760mmHg
  • Flash Point: 475.6°C
  • Refractive Index: 1.606
  • PSA: 196.99000
  • LogP: 1.44220

b-D-Glucopyranoside, (3b,5a,25R)-spirostan-3-yl 4-O-b-D-glucopyranosyl- Related Literature

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