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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoic acid , 3-methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzoic acid , 3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid , 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methoxy-benzoic acid , 3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzoic acid
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| Smiles: |
OC[C@H]1O[C@@H](Oc2ccc(cc2OC)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1
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| InChi Key : |
InChIKey=JYFOSWJYZIVJPO-YGEZULPYSA-N
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| PubChem ID : |
14132337
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| Rotatable bond count : |
5
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
9
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Ionization potential : |
9.157088
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| Hydrogen bond donor count : |
5
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Electric dipole moment : |
4.953
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| XLogP : |
-0.798
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VDW volume : |
283.653532
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| Molecular weight : |
330.095082
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HOMO-LUMO gap : |
8.382000
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| Herb list : |
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| Refrences & Litretures: |
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