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Kaempferol 3,7-diglycosides; 3-O-[alpha-L-Rhamnopyranosyl-(1->6)-beta-D-galactopyranoside], 7-O-beta-D-glucopyranoside
PHCD compound ID : 5684
Chemical Names :
Kaempferol 3,7-diglycosides; 3-O-[alpha-L-Rhamnopyranosyl-(1->6)-beta-D-galactopyranoside], 7-O-beta-D-glucopyranoside
Molecular Formula : C33H40O20
Molecular Weight : 756.211294
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)[C@@H]([C@@H]([C@H]2O)O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-13(49-32-27(45)24(42)20(38)16(8-34)51-32)7-15(18)50-29(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21-,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1
InChi Key : InChIKey=SCEPATPTKMFDSR-MVQIQBPISA-N
PubChem ID :
Rotatable bond count : 9 Rule of five : 2
Hydrogen bond acceptor count : 20 Ionization potential : 9.312733
Hydrogen bond donor count : 12 Electric dipole moment : 8.826
XLogP : -2.389 VDW volume : 638.098064
Molecular weight : 756.211294 HOMO-LUMO gap : 8.123000
Herb list :
Refrences & Litretures:
  
958.      Journal:'International Journal of Scientific & Engineering Research'      Year:'2019'      Volume:'10'      Page:'589'      DOI:''      Title:'Ethnopharmacological Investigations of Phytochemical Constituents Isolated from the Genus Atropa'
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