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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(E)-3-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one , (E)-3-[4-[[3-[[3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-(2,4-dihydroxyphenyl)-2-propen-1-one , (E)-3-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one , (E)-1-[2,4-bis(oxidanyl)phenyl]-3-[4-[6-(hydroxymethyl)-3-[4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one , (E)-3-[4-[3-(3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl)oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
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| Smiles: |
OC[C@H]1O[C@H](Oc2ccc(cc2)/C=C/C(=O)c2ccc(cc2O)O)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO
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| InChi : |
InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+/t19-,20-,21-,22+,23+,24+,25+,26-/m1/s1
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| InChi Key : |
InChIKey=VMMVZVPAYFZNBM-CRWQAQOPSA-N
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| PubChem ID : |
6475724
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| Rotatable bond count : |
9
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
13
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Ionization potential : |
9.423827
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| Hydrogen bond donor count : |
8
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Electric dipole moment : |
2.897
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| XLogP : |
-0.974
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VDW volume : |
480.207502
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| Molecular weight : |
550.168641
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HOMO-LUMO gap : |
8.395000
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| Herb list : |
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| Refrences & Litretures: |
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