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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzaldehyde , 3-methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzaldehyde , 3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde , 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methoxy-benzaldehyde , 3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzaldehyde
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| Smiles: |
OC[C@H]1O[C@@H](Oc2ccc(cc2OC)C=O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C14H18O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-5,10-14,16-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1
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| InChi Key : |
InChIKey=LPRNQMUKVDHCFX-RKQHYHRCSA-N
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| PubChem ID : |
6452133
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| Rotatable bond count : |
5
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
8
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Ionization potential : |
9.091708
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| Hydrogen bond donor count : |
4
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Electric dipole moment : |
5.427
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| XLogP : |
-0.717
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VDW volume : |
274.863305
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| Molecular weight : |
314.100168
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HOMO-LUMO gap : |
8.372000
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| Herb list : |
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| Refrences & Litretures: |
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