Glycoside
GD060414
Name:
NoneFormula:
C16H20O5N4Smiles:
Cc1cccc(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Aglycone:
Cc1cccc(NC2=C(C(N)=O)N=C[N]2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.36 | Num_heavy_atoms: | 25 |
| TPSA: | 142.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD29853
Formula: C11H11ON4
Smiles:
Cc1cccc(NC2=C(C(N)=O)N=C[N]2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 215.24 | Num_heavy_atoms: | 16 |
| TPSA: | 81.58 | NumAromaticRings: | 1 |
