Cas no 101330-77-2 (4H-1-Benzopyran-4-one,3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-)

4H-1-Benzopyran-4-one,3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy- structure
101330-77-2 structure
Product Name:4H-1-Benzopyran-4-one,3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-
CAS No:101330-77-2
MF:C28H32O16
MW:624.544090270996
CID:206819
PubChem ID:5487094
Update Time:2025-04-19

4H-1-Benzopyran-4-one,3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy- Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one,3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-
    • 3-[(2S,3S,4S,5R,6R)-3,4-dihydroxy-6-methoxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
    • 4H-1-Benzopyran-4-one, 3-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D -glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-
    • 4H-1-Benzopyran-4-one,3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methox
    • 3-{[(2S,3S,4S,5R,6R)-3,4-dihydroxy-6-methoxy-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one (non-preferred name)
    • rhamnetin-O(3)-neohesperidoside
    • DTXSID60143861
    • 101330-77-2
    • 4H-1-Benzopyran-4-one, 3-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D -glucopyranosyl)oxy)-2-(3,4-d
    • 4H-1-Benzopyran-4-one, 3-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-
    • Rhamnetin-3-O-neohesperidoside
    • Inchi： 1S/C28H32O16/c1-9-17(32)19(34)21(36)26(40-9)43-25-20(35)22(37)27(44-28(25)39-3)42-24-18(33)16-14(31)7-11(38-2)8-15(16)41-23(24)10-4-5-12(29)13(30)6-10/h4-9,17,19-22,25-32,34-37H,1-3H3/t9-,17-,19+,20-,21+,22-,25+,26-,27-,28+/m0/s1
    • InChI Key： BDQAVVLZKLFTIK-KCYUVNIVSA-N
    • SMILES： O([C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)[C@H]1[C@H](OC)O[C@@H]([C@H]([C@@H]1O)O)OC1C(C2C(=CC(=CC=2OC=1C1C=CC(=C(C=1)O)O)OC)O)=O

Computed Properties

  • Exact Mass: 624.16896
  • Monoisotopic Mass: 624.16903493g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 7
  • Complexity: 1040
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.3
  • Topological Polar Surface Area: 244?2

Experimental Properties

  • PSA: 243.52

4H-1-Benzopyran-4-one,3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy- Related Literature

Related Categories

101330-77-2 (4H-1-Benzopyran-4-one,3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-) Related Products

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