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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3S,4S,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid , (3S,4S,6S)-6-[[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid , (3S,4S,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid , (3S,4S,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid , (3S,4S,6S)-6-[2-(4-hydroxyphenyl)-5,6-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid , (3S,4S,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
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| Smiles: |
OC(=O)[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/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18-,19-,21+/m0/s1
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| InChi Key : |
InChIKey=DJSISFGPUUYILV-MFPFFRNPSA-N
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| PubChem ID : |
44258424
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| Rotatable bond count : |
4
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
12
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Ionization potential : |
8.777128
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| Hydrogen bond donor count : |
7
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Electric dipole moment : |
7.675
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| XLogP : |
0.337
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VDW volume : |
382.300893
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| Molecular weight : |
462.079826
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HOMO-LUMO gap : |
7.635000
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| Herb list : |
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| Refrences & Litretures: |
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