aglycones
Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
---|---|---|---|---|---|
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AD00291 | 0.12 | 260.38 | C13H28O3N2 | CCCCCCCOC1C(N)CC(N)C(O)C1O |
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AD00292 | 4.9 | 274.36 | C20H18O | OCCCCc1cc2ccc3cccc4ccc(c1)c2c34 |
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AD00293 | 1.28 | 678.86 | C33H62O12N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=NOCOCCOC)C(C)C(O)C1(C)O |
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AD00294 | -2.09 | 2234.8 | C109H129O29N22Cl | CC(C)CC1NC(=O)CNC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CCCN)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(CCCN)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CNC(=O)C(CC(N)=O)NC(=O)c2ccc(C#N)cc2)C(C(N)=O)OC(=O)C(c2ccc(O)c(Cl)c2)NC(=O)C(C)NC1=O |
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AD00295 | 5.37 | 561.8 | C27H60O3N7P | CCCCCCCCCCCCCCCCOP(=O)(CCN(CCCNC(=N)N)CCCNC(=N)N)OC |
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AD00296 | -1.99 | 220.25 | C8H12O5S | COCCCSC(CC(=O)[O-])C(=O)[O-] |
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AD00297 | -2.64 | 206.22 | C7H10O5S | O=C([O-])CC(SCCCO)C(=O)[O-] |
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AD00298 | 3.52 | 302.36 | C17H10N4S | N#Cc1c(N)nc(S)c(C#N)c1-c1ccc2ccccc2c1 |
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AD00299 | 0.97 | 120.15 | C7H8N2 | N=C(N)c1ccccc1 |
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AD00300 | 1.65 | 374.39 | C20H22O7 | CC12CC(c3ccoc3)OC(=O)C1(O)CC1OC(=O)C3(O)C=CCC2C13C |