5-Hydroxy-8-Methoxy-2,9-Dimethyl-4-Oxo-4H-Benzo[G]Chromen-6-Yl 6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(Hydroxymethyl)Tetrahydro-2-Furanyl]-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C27H32O14
IUPAC Name 6-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-8-methoxy-2,9-dimethyl-benzo[g]chromen-4-one
Molecular Mass 580.535 g·mol−1
Heat of Formation -2321.8 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 637.39 Å 3
Surface Area 489.13 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-naphtho(2,3-b)pyran-4-one, 6-((6-o-d-apio-beta-d-furanosyl-beta-d-glucopyranosyl)oxy)-5-hydroxy-8-methoxy-2,7-dimethyl-
  • 6-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxy-oxan-2-yl]oxy-5-hydroxy-8-methoxy-2,9-dimethyl-benzo[g]chromen-4-one
  • 6-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-8-methoxy-2,9-dimethylbenzo[g]chromen-4-one
  • 6-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-8-methoxy-2,9-dimethyl-benzo[g]chromen-4-one
  • 6-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-8-methoxy-2,9-dimethyl-benzo[g]chromen-4-one
  • 6-[[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)-2-tetrahydrofuranyl]oxymethyl]-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]-5-hydroxy-8-methoxy-2,9-dimethyl-4-benzo[g]chromenone
  • qqfgp
  • quinquangulin-6-apiofuranosyl-(1-6)-glucopyranoside
CAS Number(s)
  • 132922-81-7
InChIKey OILHXJPQNHMBHT-WIEAWUDUSA-N
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