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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one , 2-(4-hydroxyphenyl)-7-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one , 2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one , 7-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one , 2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chroman-4-one
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| Smiles: |
OC[C@H]1O[C@@H](Oc2ccc3c(c2)O[C@@H](CC3=O)c2ccc(cc2)O)[C@@H]([C@@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-5-6-13-14(24)8-15(29-16(13)7-12)10-1-3-11(23)4-2-10/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19+,20+,21+/m0/s1
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| InChi Key : |
InChIKey=HJBUYKZTEBZNSH-SZOCEBHJSA-N
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| PubChem ID : |
22524411
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| Rotatable bond count : |
4
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
9
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Ionization potential : |
9.320879
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| Hydrogen bond donor count : |
5
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Electric dipole moment : |
4.083
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| XLogP : |
-0.435
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VDW volume : |
361.20313
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| Molecular weight : |
418.126382
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HOMO-LUMO gap : |
8.830000
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| Herb list : |
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| Refrences & Litretures: |
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