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ScientificNameLabel
Vitexin 4'-O-rhamnoside
PHCD compound ID : 3165
Chemical Names :
Vitexin 4'-O-rhamnoside
Molecular Formula : C27H30O14
Molecular Weight : 578.163556
More Details :
Names & Synonyms: 5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]chromen-4-one , 5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-[4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]phenyl]-1-benzopyran-4-one , 5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one , 8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-[4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-5,7-bis(oxidanyl)chromen-4-one , 5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]chromone
Smiles: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O
InChi : InChI=1S/C27H30O14/c1-9-19(32)21(34)24(37)27(38-9)39-11-4-2-10(3-5-11)15-7-14(31)17-12(29)6-13(30)18(25(17)40-15)26-23(36)22(35)20(33)16(8-28)41-26/h2-7,9,16,19-24,26-30,32-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,24+,26-,27-/m0/s1
InChi Key : InChIKey=ZIIBNXKQZAUBRD-VVZHCWMZSA-N
PubChem ID : 5488886
Rotatable bond count : 5 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.496599
Hydrogen bond donor count : 9 Electric dipole moment : 4.641
XLogP : -1.31 VDW volume : 493.937254
Molecular weight : 578.163556 HOMO-LUMO gap : 8.326000
Herb list :
Refrences & Litretures:
  
434.      Journal:'Natural Product Research'      Year:'2004'      Volume:'18'      Page:'211'      DOI:'10.1080/14786410310001620673'      Title:'FLAVONOIDS OF CRATAEGUS MICROPHYLLA'
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