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ScientificNameLabel
Pelargonidin 5-O-beta-D-galactoside
PHCD compound ID : 3279
Chemical Names :
Pelargonidin 5-O-beta-D-galactoside
Molecular Formula : C21H21O10
Molecular Weight : 433.113472
More Details :
Names & Synonyms: (2S,4S,5R)-2-[3,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol , (2S,4S,5R)-2-[[3,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,4S,5R)-2-[3,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol , (3R,4S,6S)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)-3,7-bis(oxidanyl)chromenylium-5-yl]oxy-oxane-3,4,5-triol , (2S,4S,5R)-2-[[3,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-5-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
Smiles: OC[C@@H]1O[C@@H](Oc2cc(O)cc3c2cc(O)c([o+]3)c2ccc(cc2)O)[C@@H]([C@H]([C@H]1O)O)O
InChi : InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-6-11(24)5-14-12(15)7-13(25)20(29-14)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18-,19+,21+/m0/s1
InChi Key : InChIKey=AFRWRFLTMADQHJ-VDRZXAFZSA-O
PubChem ID : 44256698
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 9 Ionization potential : 12.026419
Hydrogen bond donor count : 7 Electric dipole moment : 9.553
XLogP : 0.313 VDW volume : 357.775128
Molecular weight : 433.113472 HOMO-LUMO gap : 6.575000
Herb list :
Refrences & Litretures:
  
445.      Journal:'JOURNAL OF NATURAL REMEDIES'      Year:'2002'      Volume:'2'      Page:'102'      DOI:'10.18311/jnr/2002/141'      Title:'A review of phytochemical studies of Cassia species'
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