Chemical Name - Tylosin
Mol Weight - 916.107
Smiles - CC[C@H]([C@@H](CO[C@@H]([C@@H]([C@@H]1OC)OC)O[C@H](C)[C@H]1O)/C=C(C)/C=C/C([C@H](C)C[C@H](CC=O)[C@@H]([C@@H](C)[C@@H](C1)O)O[C@@H]([C@@H]([C@H]2N(C)C)O)O[C@H](C)[C@H]2O[C@@H](C[C@@]2(C)O)O[C@@H](C)[C@
Mol Weight - 916.107
Smiles - CC[C@H]([C@@H](CO[C@@H]([C@@H]([C@@H]1OC)OC)O[C@H](C)[C@H]1O)/C=C(C)/C=C/C([C@H](C)C[C@H](CC=O)[C@@H]([C@@H](C)[C@@H](C1)O)O[C@@H]([C@@H]([C@H]2N(C)C)O)O[C@H](C)[C@H]2O[C@@H](C[C@@]2(C)O)O[C@@H](C)[C@
| Property Value | |
| Mol Name | Tylosin |
| Molweight | 916.107 |
| Monoisotopic Mass | 915.519154 |
| Clogp | 2.041 |
| Clogs | -4.239 |
| H Acceptors | 18 |
| H Donors | 5 |
| Total Surface Area | 687.89 |
| Relative Psa | 0.28808 |
| Polar Surface Area | 238.67 |
| Druglikeness | 7.108 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.40625 |
| Molecular Flexibility | 0.38609 |
| Molecular Complexity | 1.0026 |
| Fragments | 1 |
| Non H Atoms | 64 |
| Non Ch Atoms | 18 |
| Electronegative Atoms | 18 |
| Stereo Centers | 21 |
| Rotatable Bonds | 13 |
| Rings Closures | 4 |
| Small Rings | 3 |
| Sp3 Atoms | 54 |
| Symmetric Atoms | 1 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CC[C@H]([C@@H](CO[C@@H]([C@@H]([C@@H]1OC)OC)O[C@H](C)[C@H]1O)/C=C(C)/C=C/C([C@H](C)C[C@H](CC=O)[C@@H]([C@@H](C)[C@@H](C1)O)O[C@@H]([C@@H]([C@H]2N(C)C)O)O[C@H](C)[C@H]2O[C@@H](C[C@@]2(C)O)O[C@@H](C)[C@ |
| InChIKey | InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)4 |
| InChI | WBPYTXDJUQJLPQ-NPDGXYKISA-N |
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1 - Tylosin
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2 - Tylosin
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