Glycoside
GD057144
Name:
NoneFormula:
C13H18O5N6Smiles:
CCc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)nn1Aglycone:
CCC1=C[N]N=N1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 338.32 | Num_heavy_atoms: | 24 |
| TPSA: | 161.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD28681
Formula: C4H6N3
Smiles:
CCC1=C[N]N=N1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 96.11 | Num_heavy_atoms: | 7 |
| TPSA: | 38.82 | NumAromaticRings: | 0 |
