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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate , 3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester , [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate , [(2R,3R)-5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate , 3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] ester
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| Smiles: |
Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O
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| InChi : |
InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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| InChi Key : |
InChIKey=WMBWREPUVVBILR-WIYYLYMNSA-N
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| PubChem ID : |
65064
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| Rotatable bond count : |
4
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
11
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Ionization potential : |
8.717642
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| Hydrogen bond donor count : |
8
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Electric dipole moment : |
2.152
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| XLogP : |
2.984
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VDW volume : |
377.270192
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| Molecular weight : |
458.084911
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HOMO-LUMO gap : |
8.017000
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| Herb list : |
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| Refrences & Litretures: |
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