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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid , (2S,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid , (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid , (2S,3S,4S,5R,6S)-6-[2-[3,4-bis(oxidanyl)phenyl]-3,5-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid , (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-keto-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
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| Smiles: |
OC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C21H18O13/c22-8-2-1-6(3-9(8)23)18-15(27)13(25)12-10(24)4-7(5-11(12)33-18)32-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1
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| InChi Key : |
InChIKey=JXWGCVLNCGCZRU-JENRNSKYSA-N
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| PubChem ID : |
11641481
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| Rotatable bond count : |
4
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
13
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Ionization potential : |
8.982068
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| Hydrogen bond donor count : |
8
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Electric dipole moment : |
8.101
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| XLogP : |
0.685
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VDW volume : |
391.09112
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| Molecular weight : |
478.074741
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HOMO-LUMO gap : |
7.978000
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| Herb list : |
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| Refrences & Litretures: |
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