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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-chromen-2-one , 7-[[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-5-hydroxy-1-benzopyran-2-one , 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxychromen-2-one , 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-2-one , 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-coumarin
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| Smiles: |
OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(=O)cc3)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C20H24O13/c21-6-20(28)7-30-19(17(20)27)29-5-12-14(24)15(25)16(26)18(33-12)31-8-3-10(22)9-1-2-13(23)32-11(9)4-8/h1-4,12,14-19,21-22,24-28H,5-7H2/t12-,14-,15+,16-,17+,18-,19-,20-/m1/s1
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| InChi Key : |
InChIKey=QHSHXBWXONFTDM-ZITSYKRSSA-N
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| PubChem ID : |
102422543
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| Rotatable bond count : |
6
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
13
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Ionization potential : |
9.064345
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| Hydrogen bond donor count : |
7
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Electric dipole moment : |
2.713
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| XLogP : |
-1.994
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VDW volume : |
395.24097
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| Molecular weight : |
472.121691
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HOMO-LUMO gap : |
8.443000
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| Herb list : |
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