Glycoside
GD030173
Name:
NoneFormula:
C25H36O4N8Smiles:
CN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 512.62 | Num_heavy_atoms: | 37 |
| TPSA: | 163.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD08536
Formula: C16H27ON3
Smiles:
CN(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 277.41 | Num_heavy_atoms: | 20 |
| TPSA: | 44.37 | NumAromaticRings: | 1 |
