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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-yl]chromane-3,5,7-triol , (2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol , (2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol , (2S,3S)-2-[3,4-bis(oxidanyl)phenyl]-8-[(2R,3R,4R)-2-(4-hydroxyphenyl)-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol , (2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-yl]chroman-3,5,7-triol
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| Smiles: |
Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2[C@@H]([C@H]1O)c1c(O)cc(c2c1O[C@H]([C@H](C2)O)c1ccc(c(c1)O)O)O)O
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| InChi : |
InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)29-27(39)26(24-20(36)8-15(32)9-23(24)40-29)25-21(37)11-18(34)16-10-22(38)28(41-30(16)25)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26+,27+,28-,29+/m0/s1
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| InChi Key : |
InChIKey=KUODBSWFMJMVJV-DQPHOHOGSA-N
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| PubChem ID : |
14015960
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| Rotatable bond count : |
3
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
11
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Ionization potential : |
8.775553
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| Hydrogen bond donor count : |
9
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Electric dipole moment : |
3.431
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| XLogP : |
0.779
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VDW volume : |
474.752235
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| Molecular weight : |
562.147512
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HOMO-LUMO gap : |
8.406000
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| Herb list : |
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| Refrences & Litretures: |
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