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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
3-[[(3S,6S)-6-[2-(3,4-dihydroxyphenyl)-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-dihydroxyphenyl)-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-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid , 3-[[(3S,6S)-6-[2-[3,4-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-dihydroxyphenyl)-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: |
OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(c(c2)O)O)O)[C@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1/t17-,20-,21+,22+,24-/m1/s1
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| InChi Key : |
InChIKey=ROQLTZUOXIQBDO-GOBSUPISSA-O
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| PubChem ID : |
44256740
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| Rotatable bond count : |
8
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
13
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Ionization potential : |
11.588722
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| Hydrogen bond donor count : |
8
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Electric dipole moment : |
7.798
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| XLogP : |
0.753
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VDW volume : |
439.551071
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| Molecular weight : |
535.10878
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HOMO-LUMO gap : |
6.587000
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| Herb list : |
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| Refrences & Litretures: |
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