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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-[[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1-naphthyl]oxy]tetrahydropyran-3,4,5-triol , (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-hydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-naphthalenyl]oxy]oxane-3,4,5-triol , (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-1-yl]oxyoxane-3,4,5-triol , (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-naphthalen-1-yl]oxy-oxane-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1-naphthoxy]-6-methylol-tetrahydropyran-3,4,5-triol
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| Smiles: |
OC[C@H]1O[C@@H](Oc2cc(O)c(c3c2cccc3)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C22H28O13/c23-6-12-14(26)16(28)18(30)21(33-12)32-11-5-10(25)20(9-4-2-1-3-8(9)11)35-22-19(31)17(29)15(27)13(7-24)34-22/h1-5,12-19,21-31H,6-7H2/t12-,13-,14-,15-,16+,17+,18-,19-,21-,22+/m1/s1
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| InChi Key : |
InChIKey=MFKUFDGNYITGPN-WFRIJLMHSA-N
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| PubChem ID : |
189451
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| Rotatable bond count : |
6
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
13
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Ionization potential : |
8.557931
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| Hydrogen bond donor count : |
9
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Electric dipole moment : |
4.001
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| XLogP : |
-1.319
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VDW volume : |
418.932939
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| Molecular weight : |
500.152991
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HOMO-LUMO gap : |
7.854000
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| Herb list : |
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| Refrences & Litretures: |
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