Mulberroside A

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Properties Simple | Detailed

Formula C26H32O14
IUPAC Name (2s,3r,4s,5s,6r)-2-[3-hydroxy-4-[(e)-2-[3-hydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]vinyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 568.524 g·mol−1
Heat of Formation -2311.8 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 631.67 Å 3
Surface Area 524.83 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[3-hydroxy-5-[(e)-2-[2-hydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[3-hydroxy-5-[(e)-2-[2-hydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[3-hydroxy-5-[(e)-2-[2-hydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]vinyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[3-hydroxy-5-[(e)-2-[2-hydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]vinyl]phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[3-hydroxy-5-[(e)-2-[2-hydroxy-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]vinyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Number(s)
  • 102841-42-9
InChIKey HPSWAEGGWLOOKT-VUNDNAJOSA-N
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