Glycoside
GD008076
Name:
TylosinFormula:
C46H77O17NSmiles:
CCC1OC(=O)CC(O)C(C)[C@H](O[C@@H]2OC(C)[C@H](O[C@@H]3C[C@@](C)(O)C(O)C(C)O3)C(N(C)C)C2O)[C@H](CC=O)CC(C)C(=O)C=CC(C)=C[C@H]1COC1OC(C)C(O)C(OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 13 |
| MolWt: | 916.11 | Num_heavy_atoms: | 64 |
| TPSA: | 238.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD01623
Formula: C23H36O7
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.53 | Num_heavy_atoms: | 30 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
