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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-carboxylic acid , (3S,4S,6S)-3,4,5-trihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-1-benzopyran-7-yl]oxy]-2-oxanecarboxylic acid , (3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid , (3S,4S,6S)-6-[2-(4-hydroxyphenyl)-6-methoxy-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid , (3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-keto-6-methoxy-chromen-7-yl]oxy-tetrahydropyran-2-carboxylic acid
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| Smiles: |
COc1c(O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@@H]2O)O)O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O
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| InChi : |
InChI=1S/C22H20O12/c1-31-19-13(33-22-18(28)16(26)17(27)20(34-22)21(29)30)7-12-14(15(19)25)10(24)6-11(32-12)8-2-4-9(23)5-3-8/h2-7,16-18,20,22-23,25-28H,1H3,(H,29,30)/t16-,17-,18-,20-,22+/m0/s1
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| InChi Key : |
InChIKey=GVEZRDBRYNJUDQ-QWRJVSGHSA-N
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| PubChem ID : |
44258434
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| Rotatable bond count : |
5
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
12
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Ionization potential : |
9.182936
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| Hydrogen bond donor count : |
6
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Electric dipole moment : |
6.724
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| XLogP : |
0.229
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VDW volume : |
399.596878
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| Molecular weight : |
476.095476
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HOMO-LUMO gap : |
8.095000
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| Herb list : |
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| Refrences & Litretures: |
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