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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid , (2S,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-3-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid , (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid , (2S,3S,4S,5R,6S)-6-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid , (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-keto-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
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| Smiles: |
Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O
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| InChi : |
InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1
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| InChi Key : |
InChIKey=DUBCCGAQYVUYEU-ZUGPOPFOSA-N
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| PubChem ID : |
5274585
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| Rotatable bond count : |
4
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
13
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Ionization potential : |
9.199673
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| Hydrogen bond donor count : |
8
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Electric dipole moment : |
4.160
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| XLogP : |
0.256
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VDW volume : |
391.09112
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| Molecular weight : |
478.074741
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HOMO-LUMO gap : |
8.059000
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| Herb list : |
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| Refrences & Litretures: |
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