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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol , (2S,5S)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,5S)-2-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,5S)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
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| Smiles: |
OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(c(c2)O)O)O)[C@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19+,21-/m1/s1
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| InChi Key : |
InChIKey=RKWHWFONKJEUEF-XLIFZOOWSA-O
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| PubChem ID : |
44256715
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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 : |
11.765321
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| Hydrogen bond donor count : |
8
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Electric dipole moment : |
9.285
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| XLogP : |
0.661
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VDW volume : |
366.565354
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| Molecular weight : |
449.108386
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HOMO-LUMO gap : |
6.429000
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| Herb list : |
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| Refrences & Litretures: |
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