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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromenylium-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[[7-hydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyrylium-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol , (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-oxidanyl-chromenylium-5-yl]oxy-oxane-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1-benzopyrylium-5-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
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| Smiles: |
OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
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| InChi Key : |
InChIKey=SLCKJKWFULXZBD-ZOTFFYTFSA-O
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| PubChem ID : |
441772
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| Rotatable bond count : |
7
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
14
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Ionization potential : |
11.837766
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| Hydrogen bond donor count : |
10
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Electric dipole moment : |
3.511
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| XLogP : |
-0.993
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VDW volume : |
493.14571
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| Molecular weight : |
595.166295
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HOMO-LUMO gap : |
6.728000
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| Herb list : |
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| Refrences & Litretures: |
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