General Information of the Compound
| Compound ID |
CP0545579
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| Compound Name |
methyl (2S,3R,5R)-2-[[(2R,3R,5S,8R,9S,10R,13R,14S,16R,17R)-10-formyl-2,14,16-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-5-methyloxolane-3-carboxylate
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| Structure |
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| Formula |
C30H42O11
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| Molecular Weight |
578.655
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| Canonical SMILES |
COC(=O)[C@@]1(O)C[C@@H](C)O[C@H]1O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@H]([C@H](O)C[C@]34O)C3=CC(=O)OC3)[C@]2(C[C@H]1O)C=O
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| InChI |
InChI=1S/C30H42O11/c1-15-10-29(36,25(35)38-3)26(40-15)41-22-9-17-4-5-19-18(28(17,14-31)11-20(22)32)6-7-27(2)24(16-8-23(34)39-13-16)21(33)12-30(19,27)37/h8,14-15,17-22,24,26,32-33,36-37H,4-7,9-13H2,1-3H3/t15-,17+,18+,19-,20-,21-,22-,24+,26+,27-,28-,29+,30+/m1/s1
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| InChIKey |
OJGUIXISQUSGBB-VLWFZNFNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound