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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one , 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one , 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one , 3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(3-methoxy-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one , 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
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| Smiles: |
OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1
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| InChi Key : |
InChIKey=CQLRUIIRRZYHHS-LFXZADKFSA-N
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| PubChem ID : |
5318645
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| Rotatable bond count : |
5
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
12
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Ionization potential : |
9.053247
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| Hydrogen bond donor count : |
7
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Electric dipole moment : |
4.632
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| XLogP : |
-0.009
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VDW volume : |
402.233336
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| Molecular weight : |
478.111126
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HOMO-LUMO gap : |
7.753000
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| Herb list : |
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| Refrences & Litretures: |
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