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ScientificNameLabel
Apigenin-7-0-neohes
PHCD compound ID : 5308
Chemical Names :
Apigenin-7-0-neohes
Molecular Formula : C27H30O14
Molecular Weight : 578.163556
More Details :
Names & Synonyms: 7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one , 7-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one , 7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one , 7-[6-(hydroxymethyl)-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one , 7-[4,5-dihydroxy-6-methylol-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromone
Smiles: OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)O
InChi : InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18-,20-,21-,22+,23-,24-,25+,26+,27-/m1/s1
InChi Key : InChIKey=RPMNUQRUHXIGHK-IJNQOIHDSA-N
PubChem ID : 5459217
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.511297
Hydrogen bond donor count : 8 Electric dipole moment : 6.556
XLogP : -1.002 VDW volume : 493.937254
Molecular weight : 578.163556 HOMO-LUMO gap : 8.470000
Herb list :
Refrences & Litretures:
  
858.      Journal:'Indo Am. J. P. Sci'      Year:'2019'      Volume:'6'      Page:'4138'      DOI:''      Title:'CHEMICAL COMPOSITION OF ILLICIUM VERUM (STAR ANISE) FRUIT'
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