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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
3-[[(3S,6S)-6-[2-(3,4-dihydroxy-5-methoxy-phenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3-oxo-propanoic acid , 3-[[(3S,6S)-6-[[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-3-oxopropanoic acid , 3-[[(3S,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid , 3-[[(3S,6S)-6-[2-[3-methoxy-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromenylium-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-3-oxidanylidene-propanoic acid , 3-[[(3S,6S)-6-[[2-(3,4-dihydroxy-5-methoxy-phenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3-keto-propionic acid
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| Smiles: |
COc1cc(cc(c1O)O)c1[o+]c2cc(O)cc(c2cc1O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@@H]1O)O)O)O
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| InChi : |
InChI=1S/C25H24O15/c1-36-15-3-9(2-13(28)20(15)32)24-16(6-11-12(27)4-10(26)5-14(11)38-24)39-25-23(35)22(34)21(33)17(40-25)8-37-19(31)7-18(29)30/h2-6,17,21-23,25,33-35H,7-8H2,1H3,(H4-,26,27,28,29,30,32)/p+1/t17-,21-,22+,23+,25-/m1/s1
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| InChi Key : |
InChIKey=IAXXCVQRJLGMLV-NQXIECBCSA-O
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| PubChem ID : |
44256962
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| Rotatable bond count : |
9
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
14
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Ionization potential : |
11.273358
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| Hydrogen bond donor count : |
8
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Electric dipole moment : |
9.418
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| XLogP : |
0.993
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VDW volume : |
465.637282
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| Molecular weight : |
565.119345
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HOMO-LUMO gap : |
6.250000
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| Herb list : |
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| Refrences & Litretures: |
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