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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
3-[4-hydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]phenyl]-1-(2,4,6-trihydroxyphenyl)propan-1-one , 3-[4-hydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]phenyl]-1-(2,4,6-trihydroxyphenyl)-1-propanone , 3-[4-hydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-1-(2,4,6-trihydroxyphenyl)propan-1-one , 3-[3,5-bis[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4-oxidanyl-phenyl]-1-[2,4,6-tris(oxidanyl)phenyl]propan-1-one , 3-[4-hydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]phenyl]-1-(2,4,6-trihydroxyphenyl)propan-1-one
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| Smiles: |
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1cc(CCC(=O)c2c(O)cc(cc2O)O)cc(c1O)[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
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| InChi : |
InChI=1S/C27H34O15/c28-7-16-20(35)22(37)24(39)26(41-16)11-3-9(1-2-13(31)18-14(32)5-10(30)6-15(18)33)4-12(19(11)34)27-25(40)23(38)21(36)17(8-29)42-27/h3-6,16-17,20-30,32-40H,1-2,7-8H2/t16-,17-,20-,21-,22+,23+,24-,25-,26+,27+/m1/s1
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| InChi Key : |
InChIKey=HAUHITBXUOXVFH-XHYOFSJDSA-N
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| PubChem ID : |
102039297
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| Rotatable bond count : |
8
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
15
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Ionization potential : |
9.389310
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| Hydrogen bond donor count : |
12
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Electric dipole moment : |
6.834
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| XLogP : |
-1.887
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VDW volume : |
517.720398
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| Molecular weight : |
598.18977
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HOMO-LUMO gap : |
8.642000
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| Herb list : |
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| Refrences & Litretures: |
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