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ScientificNameLabel
mulberroside B
PHCD compound ID : 3440
Chemical Names :
mulberroside B
Molecular Formula : C15H16O9
Molecular Weight : 340.079432
More Details :
Names & Synonyms: 5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-2-one , 5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-2-one , 5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one , 6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-2-one , 5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]coumarin
Smiles: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)ccc(=O)o2
InChi : InChI=1S/C15H16O9/c16-4-8-12(20)13(21)14(22)15(24-8)10-6(17)3-7-5(11(10)19)1-2-9(18)23-7/h1-3,8,12-17,19-22H,4H2/t8-,12-,13+,14-,15+/m1/s1
InChi Key : InChIKey=MIDRSLXOVDOSTL-WMNSZERYSA-N
PubChem ID : 101311687
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 9 Ionization potential : 9.815111
Hydrogen bond donor count : 6 Electric dipole moment : 2.158
XLogP : -1.196 VDW volume : 285.956599
Molecular weight : 340.079432 HOMO-LUMO gap : 8.441000
Herb list :
Refrences & Litretures:
  
482.      Journal:'J. Agric. Food Chem'      Year:'2010'      Volume:'58'      Page:'5368'      DOI:'10.1021/jf1003607'      Title:'Tyrosinase Inhibitory Constituents from the Roots of Morus nigra: A Structure-Activity Relationship Study'
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