Glycoside
GD028918
Name:
NoneFormula:
C20H20O5N7F3Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NC(=O)Nc4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(Nc1cccc(C(F)(F)F)c1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 495.42 | Num_heavy_atoms: | 35 |
| TPSA: | 163.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD18855
Formula: C13H8ON6F3
Smiles:
O=C(Nc1cccc(C(F)(F)F)c1)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 321.24 | Num_heavy_atoms: | 23 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
