Glycoside
GD023412
Name:
NoneFormula:
C12H15O4N6FSmiles:
CC(=O)NC[C@@H]1O[C@H](n2cnc3c(N)nc(F)nc32)[C@H](O)[C@H]1OAglycone:
CNC(C)=O.Nc1nc(F)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.29 | Num_heavy_atoms: | 23 |
| TPSA: | 148.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD00084
Formula: C5H3N5F
Smiles:
Nc1nc(F)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 152.11 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD01019
Formula: C3H7ON
Smiles:
CNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
