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Untitled Document
Untitled Document
Untitled Document
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GUAIACIN
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| Chemical Formula |
: C47-H76-O17 |
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| IUPAC Name |
: 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dihydroxy-4-5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-heptamethyl-tetradecahydropicene-4a-carboxylate |
| CAS Registry Number / CID |
: cid- 196359 |
| SMILES Notation |
: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C |
| Molecular weight |
: 913.09614 [g/mol] |
| x log P |
: 2.2 |
| H Bond Donor |
: 17 |
| H Bond Acceptor |
: 10 |
Molecular Structure |
| Rotatable bond count |
: 9 |
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Biological Activities |
Drug likeness / ADMET
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Constituents
(Alphabetical order) |
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