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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]chromen-4-one , 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]-1-benzopyran-4-one , 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one , 6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-8-[(2S,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]chromen-4-one , 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-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]2OC[C@@H]([C@@H]([C@H]2O)O)O)c2c(c1O)c(=O)cc(o2)c1ccc(cc1)O
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| InChi : |
InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1
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| InChi Key : |
InChIKey=MMDUKUSNQNWVET-VYUBKLCTSA-N
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| PubChem ID : |
442658
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| Rotatable bond count : |
4
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
14
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Ionization potential : |
9.502686
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| Hydrogen bond donor count : |
10
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Electric dipole moment : |
4.015
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| XLogP : |
-2.309
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VDW volume : |
476.64127
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| Molecular weight : |
564.147906
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HOMO-LUMO gap : |
8.609000
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| Refrences & Litretures: |
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