Glycoside
GD012685
Name:
NoneFormula:
C27H28O5N6Smiles:
Cc1ccc(NC(=O)CC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O)[C@H]2O)cc1CAglycone:
CCC(=O)Nc1ccc(C)c(C)c1.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 516.56 | Num_heavy_atoms: | 38 |
| TPSA: | 151.49 | NumAromaticRings: | 4 |
Unique Aglycone
AD00783
Formula: C12H8ON5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
AD09540
Formula: C11H15ON
Smiles:
CCC(=O)Nc1ccc(C)c(C)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 177.25 | Num_heavy_atoms: | 13 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
