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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one , 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one , 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one , 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one , 7-[(2S,4S,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5,6-bis(oxidanyl)chromen-4-one , 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
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| Smiles: |
OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccc(cc2)O)[C@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C21H20O11/c22-7-14-17(26)19(28)20(29)21(32-14)31-13-6-12-15(18(27)16(13)25)10(24)5-11(30-12)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20+,21-/m1/s1
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| InChi Key : |
InChIKey=VUGRLRAUZWGZJP-STSJCENXSA-N
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| PubChem ID : |
44258423
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| Rotatable bond count : |
4
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
11
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Ionization potential : |
8.822315
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| Hydrogen bond donor count : |
7
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Electric dipole moment : |
6.704
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| XLogP : |
0.18
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VDW volume : |
376.147125
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| Molecular weight : |
448.100561
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HOMO-LUMO gap : |
7.670000
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| Herb list : |
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| Refrences & Litretures: |
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