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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]prop-2-en-1-one , (E)-1-(2,4-dihydroxyphenyl)-3-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-2-propen-1-one , (E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one , (E)-1-[2,4-bis(oxidanyl)phenyl]-3-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one , (E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]prop-2-en-1-one
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| Smiles: |
OC[C@H]1O[C@@H](Oc2ccc(cc2)/C=C/C(=O)c2ccc(cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1
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| InChi Key : |
InChIKey=YNWXJFQOCHMPCK-LXGDFETPSA-N
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| PubChem ID : |
5318591
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| Rotatable bond count : |
6
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
9
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Ionization potential : |
8.946139
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| Hydrogen bond donor count : |
6
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Electric dipole moment : |
6.329
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| XLogP : |
0.363
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VDW volume : |
370.92313
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| Molecular weight : |
418.126382
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HOMO-LUMO gap : |
8.378000
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| Herb list : |
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| Refrences & Litretures: |
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