General Information of the Compound
| Compound ID |
CP0425003
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| Compound Name |
(1S,3R,6R,7S,8S,9S,11S,12S,13S,16S)-8-tert-butyl-6,9,12-trihydroxy-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 |
C20H24O10
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| Molecular Weight |
424.402
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| Canonical SMILES |
C[C@@H]1C(=O)O[C@H]2C[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/C20H24O10/c1-6-12(23)27-7-5-17-14(25)28-11-8(21)9(16(2,3)4)18(20(11,17)19(6,7)26)10(22)13(24)29-15(18)30-17/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8+,9+,10+,11?,15+,17-,18+,19-,20-/m1/s1
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| InChIKey |
HXSVRRZOLBFCIQ-YKWLXHBJSA-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