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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-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;chloride , (2S,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxyphenyl)-7-hydroxy-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;chloride , (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-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;chloride , (2S,3R,4S,5S,6R)-2-[2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride , (2S,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxyphenyl)-7-hydroxy-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;chloride
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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(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O.[Cl-]
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| InChi : |
InChI=1S/C27H30O16.ClH/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27;/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1
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| InChi Key : |
InChIKey=QDVZZZBBPRFPDG-DHJOXOLYSA-N
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| PubChem ID : |
164999
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| Rotatable bond count : |
7
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
15
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Ionization potential : |
8.814849
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| Hydrogen bond donor count : |
11
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Electric dipole moment : |
5.936
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| XLogP : |
-0.645
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VDW volume : |
501.935937
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| Molecular weight : |
611.16121
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HOMO-LUMO gap : |
8.048000
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| Herb list : |
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| Refrences & Litretures: |
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