Cas no 78053-02-8 ((2S,3S,4R,5R,6S)-2-(hydroxymethyl)-6-{[(4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy}-2-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name))

(2S,3S,4R,5R,6S)-2-(hydroxymethyl)-6-{[(4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy}-2-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) structure
78053-02-8 structure
Product Name:(2S,3S,4R,5R,6S)-2-(hydroxymethyl)-6-{[(4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy}-2-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)
CAS No:78053-02-8
MF:C21H32O13
MW:492.470988273621
CID:1790477
PubChem ID:157148
Update Time:2025-04-21

(2S,3S,4R,5R,6S)-2-(hydroxymethyl)-6-{[(4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy}-2-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) Chemical and Physical Properties

Names and Identifiers

    • (2S,3S,4R,5R,6S)-2-(hydroxymethyl)-6-{[(4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy}-2-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)
    • (2S,3S,4R,5R,6S)-2-(hydroxymethyl)-6-{[(4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy}-2-{[(2S,3
    • (2S,3S,4R,5R,6S)-2-(hydroxymethyl)-6-{[(4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy}-2-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydr
    • (2S,3S,4R,5R,6S)-6-[[(4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-3,4,5-triol
    • 6-O-alpha-L-Rhamnopyranosylaucubin
    • SINUATOL
    • 78053-02-8
    • beta-D-Glucopyranoside, 5-((6-deoxy-alpha-L-mannopyranosyl)oxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl, (1S,4aR,5S,7aS)-
    • Inchi： 1S/C21H32O13/c1-7-13(24)15(26)17(28)20(31-7)32-10-4-8(5-22)12-9(10)2-3-30-19(12)34-21-18(29)16(27)14(25)11(6-23)33-21/h2-4,7,9-29H,5-6H2,1H3
    • InChI Key： GKYZLSXVWCJFOK-UHFFFAOYSA-N
    • SMILES： CC1C(O)C(O)C(O)C(OC2C3C=COC(C3C(CO)=C2)OC2C(O)C(O)C(O)C(CO)O2)O1

Computed Properties

  • Exact Mass: 492.18429107g/mol
  • Monoisotopic Mass: 492.18429107g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 6
  • Complexity: 776
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.795
  • Topological Polar Surface Area: 208?2

(2S,3S,4R,5R,6S)-2-(hydroxymethyl)-6-{[(4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy}-2-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) Related Literature

Related Categories

78053-02-8 ((2S,3S,4R,5R,6S)-2-(hydroxymethyl)-6-{[(4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy}-2-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)) Related Products

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