Glycoside
GD015417
Name:
NoneFormula:
C18H17O5N6F3Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNCc1ccc(OC(F)(F)F)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.37 | Num_heavy_atoms: | 32 |
| TPSA: | 157.64 | 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 |
AD11205
Formula: C9H8O2NF3
Smiles:
O=CNCc1ccc(OC(F)(F)F)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 219.16 | Num_heavy_atoms: | 15 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
