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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxy-tetrahydropyran-3,4,5-triol , (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[7-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-5-yl]oxy]oxane-3,4,5-triol , (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxane-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-7-oxidanyl-2-[3,4,5-tris(oxidanyl)phenyl]chromenylium-5-yl]oxy-oxane-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)-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)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
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| InChi Key : |
InChIKey=XCTGXGVGJYACEI-LCENJUANSA-O
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| PubChem ID : |
10100906
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| Rotatable bond count : |
7
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
16
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Ionization potential : |
11.631026
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| Hydrogen bond donor count : |
12
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Electric dipole moment : |
3.792
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| XLogP : |
-0.297
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VDW volume : |
510.726164
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| Molecular weight : |
627.156125
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HOMO-LUMO gap : |
6.147000
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| Herb list : |
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| Refrences & Litretures: |
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