Glycoside
GD037169
Name:
NoneFormula:
C25H26O6N7F3Smiles:
NC(=O)c1cc(C#C[C@H](CC[C@H](N)C(=O)O)C[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)ccc1C(F)(F)FAglycone:
CC(C#Cc1ccc(C(F)(F)F)c(C(N)=O)c1)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.4 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 577.52 | Num_heavy_atoms: | 41 |
| TPSA: | 225.72 | 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 |
AD23431
Formula: C16H17O3N2F3
Smiles:
CC(C#Cc1ccc(C(F)(F)F)c(C(N)=O)c1)CCC(N)C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 342.32 | Num_heavy_atoms: | 24 |
| TPSA: | 106.41 | NumAromaticRings: | 1 |
