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ScientificNameLabel
Apigenin-4’-rhamnoside
PHCD compound ID : 2752
Chemical Names :
Apigenin-4’-rhamnoside
Molecular Formula : C21H20O9
Molecular Weight : 416.110732
More Details :
Names & Synonyms: 5,7-dihydroxy-2-[4-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]chromen-4-one , 5,7-dihydroxy-2-[4-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]phenyl]-1-benzopyran-4-one , 5,7-dihydroxy-2-[4-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one , 2-[4-[(3S,4S,5S,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-5,7-bis(oxidanyl)chromen-4-one , 5,7-dihydroxy-2-[4-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]chromone
Smiles: Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@H]1O[C@H](C)[C@H]([C@@H]([C@@H]1O)O)O
InChi : InChI=1S/C21H20O9/c1-9-18(25)19(26)20(27)21(28-9)29-12-4-2-10(3-5-12)15-8-14(24)17-13(23)6-11(22)7-16(17)30-15/h2-9,18-23,25-27H,1H3/t9-,18-,19+,20+,21-/m1/s1
InChi Key : InChIKey=RDBPZZVIYGFJKU-CDVUFOGNSA-N
PubChem ID : 71307301
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 9.370937
Hydrogen bond donor count : 5 Electric dipole moment : 5.873
XLogP : 0.535 VDW volume : 358.566672
Molecular weight : 416.110732 HOMO-LUMO gap : 8.354000
Herb list :
Refrences & Litretures:
  
315.      Journal:'FABAD J. Pharm. Sci'      Year:'2004'      Volume:'29'      Page:'93'      DOI:''      Title:'Chemical Constituents of Verbascum L. Species'
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