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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(2S,3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-8-yl]-4,5-dihydroxy-3-[(2S,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate , acetic acid [(2S,3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-8-yl]-4,5-dihydroxy-3-[[(2S,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]methyl ester , [(2S,3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-3-[(2S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate , [(2S,3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-3-[(2S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate , [(2S,3S,6S)-6-[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-8-yl]-3-[(2S,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]methyl ethanoate , acetic acid [(2S,3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-8-yl]-4,5-dihydroxy-3-[(2S,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester
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| Smiles: |
CC(=O)OC[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O
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| InChi : |
InChI=1S/C29H32O15/c1-10-21(35)22(36)25(39)29(41-10)44-26-18(9-40-11(2)30)43-28(24(38)23(26)37)20-15(33)7-14(32)19-16(34)8-17(42-27(19)20)12-3-5-13(31)6-4-12/h3-8,10,18,21-26,28-29,31-33,35-39H,9H2,1-2H3/t10-,18-,21-,22+,23+,24-,25+,26+,28-,29-/m0/s1
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| InChi Key : |
InChIKey=HMBGJEJYEHGZIP-FLNTZQGGSA-N
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| PubChem ID : |
44257708
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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 : |
9.440945
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| Hydrogen bond donor count : |
8
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Electric dipole moment : |
2.823
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| XLogP : |
-1.23
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VDW volume : |
534.682992
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| Molecular weight : |
620.17412
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HOMO-LUMO gap : |
8.521000
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| Herb list : |
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| Refrences & Litretures: |
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