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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-8-[(2S,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]chromen-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-8-[(2S,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]-1-benzopyran-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-6-[(2S,4R,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-8-[(2S,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]-8-[(2S,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]chromone
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| Smiles: |
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)c2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O
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| InChi : |
InChI=1S/C27H30O15/c1-7-17(32)21(36)23(38)27(40-7)16-20(35)15(26-24(39)22(37)18(33)13(6-28)42-26)19(34)14-11(31)5-12(41-25(14)16)8-2-3-9(29)10(30)4-8/h2-5,7,13,17-18,21-24,26-30,32-39H,6H2,1H3/t7-,13+,17-,18+,21+,22-,23+,24+,26-,27-/m0/s1
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| InChi Key : |
InChIKey=NPMISSRZJYIZNR-KEDMASJLSA-N
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| PubChem ID : |
44257938
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| Rotatable bond count : |
4
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
15
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Ionization potential : |
9.228473
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| Hydrogen bond donor count : |
11
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Electric dipole moment : |
14.773
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| XLogP : |
-1.501
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VDW volume : |
502.727481
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| Molecular weight : |
594.15847
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HOMO-LUMO gap : |
7.882000
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| Herb list : |
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| Refrences & Litretures: |
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