Glycoside
GD033896
Name:
NoneFormula:
C21H26O5N7FSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2ccc(F)cc2)[C@H](O)[C@H]1OAglycone:
CN(CCC(N)C(=O)O)Cc1ccc(F)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 475.48 | Num_heavy_atoms: | 34 |
| TPSA: | 185.87 | 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 |
AD21605
Formula: C12H17O2N2F
Smiles:
CN(CCC(N)C(=O)O)Cc1ccc(F)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 240.28 | Num_heavy_atoms: | 17 |
| TPSA: | 66.56 | NumAromaticRings: | 1 |
