Glycoside
GD028653
Name:
NoneFormula:
C19H22O12N8F3P3Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)NCc2ccc(C3(C(F)(F)F)N=N3)cc2)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)NCc1ccc(C2(C(F)(F)F)N=N2)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 12 |
| MolWt: | 704.35 | Num_heavy_atoms: | 45 |
| TPSA: | 295.65 | 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 |
AD18696
Formula: C10H13O9N3F3P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)NCc1ccc(C2(C(F)(F)F)N=N2)cc1| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 469.14 | Num_heavy_atoms: | 28 |
| TPSA: | 176.34 | NumAromaticRings: | 1 |
