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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
1-[3,4,6-trihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone , 1-[3,4,6-trihydroxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]ethanone , 1-[3,4,6-trihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone , 1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,6-tris(oxidanyl)phenyl]ethanone , 1-[3,4,6-trihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]ethanone
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| Smiles: |
OC[C@H]1O[C@@H](Oc2c(O)c(O)cc(c2C(=O)C)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C14H18O10/c1-4(16)8-5(17)2-6(18)9(19)13(8)24-14-12(22)11(21)10(20)7(3-15)23-14/h2,7,10-12,14-15,17-22H,3H2,1H3/t7-,10-,11+,12-,14+/m1/s1
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| InChi Key : |
InChIKey=ZLGYDHODHCRHMW-WHFNTLTKSA-N
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| PubChem ID : |
189452
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| Rotatable bond count : |
4
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
10
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Ionization potential : |
9.003966
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| Hydrogen bond donor count : |
7
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Electric dipole moment : |
2.142
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| XLogP : |
-0.161
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VDW volume : |
292.443758
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| Molecular weight : |
346.089997
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HOMO-LUMO gap : |
8.332000
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| Herb list : |
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| Refrences & Litretures: |
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