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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]chromen-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-3,7-bis[[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-5-oxidanyl-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy]chromone
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| Smiles: |
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
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| InChi Key : |
InChIKey=BNSCASRSSGJHQH-DEFKTLOSSA-N
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| PubChem ID : |
10121947
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| Rotatable bond count : |
7
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
17
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Ionization potential : |
9.181465
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| Hydrogen bond donor count : |
11
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Electric dipole moment : |
3.954
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| XLogP : |
-1.207
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VDW volume : |
520.307934
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| Molecular weight : |
626.1483
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HOMO-LUMO gap : |
8.007000
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| Herb list : |
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| Refrences & Litretures: |
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