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Untitled Document
Untitled Document
Untitled Document
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GEMIN-D
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| Chemical Formula |
: C27H22O18 |
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| IUPAC Name |
: D-Glucose, cyclic 4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 3-(3,4,5-trihydroxybenzoate) |
| CAS Registry Number / CID |
: cid-471119 |
| SMILES Notation |
: C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C(C(C=O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O |
| Molecular weight |
: 634.45278 [g/mol] |
| x log P |
: -1.6 |
| H Bond Donor |
: 18 |
| H Bond Acceptor |
: 11 |
Molecular Structure |
| Rotatable bond count |
: 6 |
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Biological Activities |
Drug likeness / ADMET
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Constituents
(Alphabetical order) |
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