Cas no 79127-31-4 (b-D-Glucopyranoside,1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl 6-O-a-D-xylopyranosyl-, [1S-(1a,4aa,5a,7aa)]- (9CI))

b-D-Glucopyranoside,1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl 6-O-a-D-xylopyranosyl-, [1S-(1a,4aa,5a,7aa)]- (9CI) structure
79127-31-4 structure
Product Name:b-D-Glucopyranoside,1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl 6-O-a-D-xylopyranosyl-, [1S-(1a,4aa,5a,7aa)]- (9CI)
CAS No:79127-31-4
MF:C20H30O13
MW:478.444407939911
CID:577218
PubChem ID:157480
Update Time:2025-04-19

b-D-Glucopyranoside,1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl 6-O-a-D-xylopyranosyl-, [1S-(1a,4aa,5a,7aa)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • (2S,3S,4R,5R,6S)-6-[[(4aS,7aR)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
    • b-D-Glucopyranoside,1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl 6-O-a-D-xylopyranosyl-, [1S-(1a,4aa,5a,7aa)]- (9CI)
    • 79127-31-4
    • beta-D-Glucopyranoside, 1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl 6-O-alpha-D-xylopyranosyl-, (1S-(1alpha,4aalpha,5alpha,7aalpha))-
    • Aucubigenin-1-O-beta-serotinoside
    • Inchi： 1S/C20H30O13/c21-5-9-2-1-8-3-4-29-17(11(8)9)32-19-15(26)13(24)16(27)20(28,33-19)7-31-18-14(25)12(23)10(22)6-30-18/h2-4,8,10-19,21-28H,1,5-7H2/t8-,10+,11+,12-,13+,14+,15+,16-,17?,18+,19-,20-/m0/s1
    • InChI Key： WYUZVJUXYRHMNQ-ULTSAYJWSA-N
    • SMILES： O([C@@H]1[C@@H]([C@H]([C@@H]([C@@](CO[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)(O)O1)O)O)O)C1[C@H]2C(CO)=CC[C@H]2C=CO1

Computed Properties

  • Exact Mass: 478.169
  • Monoisotopic Mass: 478.169
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 6
  • Complexity: 746
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.8
  • Topological Polar Surface Area: 208?2

Experimental Properties

  • Density: 1.67
  • Boiling Point: 780.2°Cat760mmHg
  • Flash Point: 425.6°C
  • Refractive Index: 1.673

b-D-Glucopyranoside,1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl 6-O-a-D-xylopyranosyl-, [1S-(1a,4aa,5a,7aa)]- (9CI) Related Literature

Related Categories

79127-31-4 (b-D-Glucopyranoside,1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl 6-O-a-D-xylopyranosyl-, [1S-(1a,4aa,5a,7aa)]- (9CI)) Related Products

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