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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxy-cyclohexanecarboxylic acid , (3R,5R)-3,4,5-tris[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1-hydroxy-1-cyclohexanecarboxylic acid , (3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid , (3R,5R)-3,4,5-tris[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy]-1-oxidanyl-cyclohexane-1-carboxylic acid , (3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]-1-hydroxy-cyclohexanecarboxylic acid
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| Smiles: |
O=C(O[C@@H]1[C@H](OC(=O)/C=C/c2ccc(c(c2)O)O)C[C@@](C[C@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)(O)C(=O)O)/C=C/c1ccc(c(c1)O)O
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| InChi : |
InChI=1S/C34H30O15/c35-21-7-1-18(13-24(21)38)4-10-29(41)47-27-16-34(46,33(44)45)17-28(48-30(42)11-5-19-2-8-22(36)25(39)14-19)32(27)49-31(43)12-6-20-3-9-23(37)26(40)15-20/h1-15,27-28,32,35-40,46H,16-17H2,(H,44,45)/b10-4+,11-5+,12-6+/t27-,28-,32-,34+/m1/s1
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| InChi Key : |
InChIKey=OAFXTKGAKYAFSI-YOWOTECTSA-N
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| PubChem ID : |
6440783
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| Rotatable bond count : |
13
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Rule of five : |
3
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| Hydrogen bond acceptor count : |
15
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Ionization potential : |
8.951246
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| Hydrogen bond donor count : |
8
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Electric dipole moment : |
3.450
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| XLogP : |
2.287
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VDW volume : |
604.164162
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| Molecular weight : |
678.15847
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HOMO-LUMO gap : |
8.006000
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| Herb list : |
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| Refrences & Litretures: |
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