Glycoside
GD027367
Name:
NoneFormula:
C21H21O4N8FSmiles:
CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(C=O)Cc1cnn(-c2ccc(F)cc2)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.45 | Num_heavy_atoms: | 34 |
| TPSA: | 157.44 | NumAromaticRings: | 4 |
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 |
AD17993
Formula: C12H12ON3F
Smiles:
CN(C=O)Cc1cnn(-c2ccc(F)cc2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 233.25 | Num_heavy_atoms: | 17 |
| TPSA: | 38.13 | NumAromaticRings: | 2 |
