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ScientificNameLabel
kaempferol-3-O-(feruloyl)sophoroside
PHCD compound ID : 3615
Chemical Names :
kaempferol-3-O-(feruloyl)sophoroside
Molecular Formula : C37H38O19
Molecular Weight : 786.200729
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]([C@H]([C@@H]2O)O)COC(=O)/C=C/c2ccc(c(c2)OC)O)Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C37H38O19/c1-50-21-10-15(2-8-19(21)41)3-9-25(43)51-14-24-28(45)31(48)35(56-36-32(49)30(47)27(44)23(13-38)53-36)37(54-24)55-34-29(46)26-20(42)11-18(40)12-22(26)52-33(34)16-4-6-17(39)7-5-16/h2-12,23-24,27-28,30-32,35-42,44-45,47-49H,13-14H2,1H3/b9-3+/t23-,24-,27-,28-,30+,31+,32-,35-,36+,37-/m1/s1
InChi Key : InChIKey=MRGUIQQUDZRQKO-ZAGNFOMMSA-N
PubChem ID :
Rotatable bond count : 12 Rule of five : 3
Hydrogen bond acceptor count : 19 Ionization potential : 9.229090
Hydrogen bond donor count : 10 Electric dipole moment : 5.269
XLogP : -0.615 VDW volume : 674.409482
Molecular weight : 786.200729 HOMO-LUMO gap : 7.948000
Herb list :
Refrences & Litretures:
  
504.      Journal:'J Sci Food Agric'      Year:'2012'      Volume:'98'      Page:'1716'      DOI:'10.1002/jsfa.5537'      Title:'Chemical composition, antioxidant and antimicrobial properties of Rapa Catozza Napoletana (Brassica rapa L. var. rapa DC.) seed meal, a promising protein source of Campania region (southern Italy) horticultural germplasm'
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