General Information of the Compound
| Compound ID |
CP0373504
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| Compound Name |
(1R,3R,6R,7S,8S,9S,11S,12S,13S,16S,17S)-8-tert-butyl-6,9,12,17-tetrahydroxy-13-methyl-2,4,15,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.012,16]nonadecane-5,14,18-trione
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| Structure |
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| Formula |
C20H24O11
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| Molecular Weight |
440.401
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| Canonical SMILES |
C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34O[C@@H]5OC(=O)[C@H](O)[C@@]55[C@@H]([C@H](O)C(OC3=O)[C@@]45[C@@]12O)C(C)(C)C
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| InChI |
InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)19-14(26)29-10-6(21)7(16(2,3)4)17(20(10,19)18(5,11)27)9(23)13(25)30-15(17)31-19/h5-11,15,21-23,27H,1-4H3/t5-,6+,7+,8+,9+,10?,11+,15+,17+,18-,19-,20-/m1/s1
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| InChIKey |
SDFUECHWMIWNAG-ANJFEFBOSA-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