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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methoxy-5-oxidanyl-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(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(OC)cc3c(c2O)c(=O)cc(o3)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C22H22O12/c1-31-14-6-13-16(11(26)5-12(32-13)8-2-3-9(24)10(25)4-8)18(28)21(14)34-22-20(30)19(29)17(27)15(7-23)33-22/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22+/m1/s1
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| InChi Key : |
InChIKey=WLDSVYQTJXGHOT-GSVZXUNASA-N
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| PubChem ID : |
5320439
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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 : |
9.376181
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| Hydrogen bond donor count : |
7
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Electric dipole moment : |
5.828
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| XLogP : |
0.42
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VDW volume : |
402.233336
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| Molecular weight : |
478.111126
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HOMO-LUMO gap : |
8.120000
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| Herb list : |
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| Refrences & Litretures: |
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