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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-3-yl]oxy-tetrahydropyran-2-carboxylic acid , (3S,6S)-3,4,5-trihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-3-yl]oxy]-2-oxanecarboxylic acid , (3S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxyoxane-2-carboxylic acid , (3S,6S)-6-[7-[(2S,4S,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid , (3S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-keto-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromen-3-yl]oxy-tetrahydropyran-2-carboxylic acid
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| Smiles: |
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O[C@@H]2O[C@H](C(=O)O)[C@H]([C@H]([C@@H]2O)O)O)c2ccc(cc2)O)[C@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C27H28O17/c28-7-13-15(31)17(33)20(36)26(42-13)40-10-5-11(30)14-12(6-10)41-22(8-1-3-9(29)4-2-8)23(16(14)32)43-27-21(37)18(34)19(35)24(44-27)25(38)39/h1-6,13,15,17-21,24,26-31,33-37H,7H2,(H,38,39)/t13-,15-,17+,18-,19+,20+,21+,24+,26-,27-/m1/s1
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| InChi Key : |
InChIKey=GFZWQMNBKUJLDI-XXLOIFJPSA-N
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| PubChem ID : |
44258937
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| Rotatable bond count : |
7
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
17
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Ionization potential : |
9.246959
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| Hydrogen bond donor count : |
10
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Electric dipole moment : |
6.351
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| XLogP : |
-1.398
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VDW volume : |
517.671476
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| Molecular weight : |
624.132649
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HOMO-LUMO gap : |
8.117000
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| Herb list : |
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| Refrences & Litretures: |
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