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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chroman-4-one , (2S)-7-hydroxy-2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3,4-dihydro-2H-1-benzopyran-4-one , (2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one , (2S)-2-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-7-oxidanyl-2,3-dihydrochromen-4-one , (2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]chroman-4-one
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| Smiles: |
OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3c(O2)cc(cc3)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1
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| InChi Key : |
InChIKey=DEMKZLAVQYISIA-ZRWXNEIDSA-N
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| PubChem ID : |
503737
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| Rotatable bond count : |
4
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
9
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Ionization potential : |
9.293256
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| Hydrogen bond donor count : |
5
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Electric dipole moment : |
5.358
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| XLogP : |
-0.435
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VDW volume : |
361.20313
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| Molecular weight : |
418.126382
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HOMO-LUMO gap : |
8.805000
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| Herb list : |
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| Refrences & Litretures: |
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