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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid , (2S,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid , (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid , (2S,3S,4S,5R,6S)-6-[2-[3,4-bis(oxidanyl)phenyl]-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid , (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-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](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
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| InChi Key : |
InChIKey=VSUOKLTVXQRUSG-ZFORQUDYSA-N
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| PubChem ID : |
5280601
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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 : |
9.326378
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| Hydrogen bond donor count : |
7
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Electric dipole moment : |
8.229
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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 : |
8.150000
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| Herb list : |
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| Refrences & Litretures: |
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