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moracinoside M
PHCD compound ID : 3447
Chemical Names :
moracinoside M
Molecular Formula : C24H26O9
Molecular Weight : 458.157682
More Details :
Names & Synonyms: (2S,3R,4S,5R)-2-[3-[5-[(3,3-dimethyloxiran-2-yl)methyl]-6-hydroxy-benzofuran-2-yl]-5-hydroxy-phenoxy]tetrahydropyran-3,4,5-triol , (2S,3R,4S,5R)-2-[3-[5-[(3,3-dimethyl-2-oxiranyl)methyl]-6-hydroxy-2-benzofuranyl]-5-hydroxyphenoxy]oxane-3,4,5-triol , (2S,3R,4S,5R)-2-[3-[5-[(3,3-dimethyloxiran-2-yl)methyl]-6-hydroxy-1-benzofuran-2-yl]-5-hydroxyphenoxy]oxane-3,4,5-triol , (2S,3R,4S,5R)-2-[3-[5-[(3,3-dimethyloxiran-2-yl)methyl]-6-oxidanyl-1-benzofuran-2-yl]-5-oxidanyl-phenoxy]oxane-3,4,5-triol
Smiles: Oc1cc(O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)cc(c1)c1oc2c(c1)cc(c(c2)O)C[C@H]1OC1(C)C
InChi : InChI=1S/C24H26O9/c1-24(2)20(33-24)7-11-3-12-6-18(32-19(12)9-16(11)26)13-4-14(25)8-15(5-13)31-23-22(29)21(28)17(27)10-30-23/h3-6,8-9,17,20-23,25-29H,7,10H2,1-2H3/t17-,20-,21+,22-,23+/m1/s1
InChi Key : InChIKey=CXFWUUIIDNGHQH-PHNZBSFLSA-N
PubChem ID : 25223656
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 8.725382
Hydrogen bond donor count : 5 Electric dipole moment : 2.632
XLogP : 0.986 VDW volume : 389.834626
Molecular weight : 458.157682 HOMO-LUMO gap : 7.744000
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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