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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl acetate , acetic acid [(2R,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester , [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate , [(2R,3S,4S,5R,6S)-6-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate , acetic acid [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-keto-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester
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| Smiles: |
CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1
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| InChi Key : |
InChIKey=IGLUNMMNDNWZOA-LNNZMUSMSA-N
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| PubChem ID : |
10006384
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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 : |
9.003725
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| Hydrogen bond donor count : |
7
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Electric dipole moment : |
6.470
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| XLogP : |
0.41
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VDW volume : |
425.683089
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| Molecular weight : |
506.106041
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HOMO-LUMO gap : |
8.002000
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| Herb list : |
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| Refrences & Litretures: |
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