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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3aS,5R,6aR,9aR,9bS)-3,6,9-trimethylene-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one , (3aS,5R,6aR,9aR,9bS)-3,6,9-trimethylene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one , (3aS,5R,6aR,9aR,9bS)-3,6,9-trimethylidene-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one , (3aS,5R,6aR,9aR,9bS)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one , (3aS,5R,6aR,9aR,9bS)-3,6,9-trimethylene-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
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| Smiles: |
OC[C@H]1O[C@@H](O[C@@H]2C[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]3[C@H](C2=C)CCC3=C)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C21H28O8/c1-8-4-5-11-9(2)13(6-12-10(3)20(26)29-19(12)15(8)11)27-21-18(25)17(24)16(23)14(7-22)28-21/h11-19,21-25H,1-7H2/t11-,12-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1
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| InChi Key : |
InChIKey=NFPFDUCKBQMYPB-KBPZUBEWSA-N
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| PubChem ID : |
101589321
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| Rotatable bond count : |
3
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
8
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Ionization potential : |
9.684457
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| Hydrogen bond donor count : |
4
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Electric dipole moment : |
6.541
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| XLogP : |
-0.054
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VDW volume : |
382.12228
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| Molecular weight : |
408.178418
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HOMO-LUMO gap : |
9.522000
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| Herb list : |
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| Refrences & Litretures: |
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