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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-chromone
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| Smiles: |
OC[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/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19-,20+,21+/m1/s1
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| InChi Key : |
InChIKey=PEFNSGRTCBGNAN-JFHUYLGKSA-N
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| PubChem ID : |
5291488
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| Rotatable bond count : |
4
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
11
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Ionization potential : |
9.326388
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| Hydrogen bond donor count : |
7
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Electric dipole moment : |
7.635
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| XLogP : |
0.18
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VDW volume : |
376.147125
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| Molecular weight : |
448.100561
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HOMO-LUMO gap : |
8.165000
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| Herb list : |
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| Refrences & Litretures: |
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