Glycoside
GD066806
Name:
NoneFormula:
C14H20O5N6Smiles:
CCCc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)nn1Aglycone:
CCCC1=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: | 0.57 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 352.35 | Num_heavy_atoms: | 25 |
| 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 |
AD31940
Formula: C5H8N3
Smiles:
CCCC1=C[N]N=N1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 110.14 | Num_heavy_atoms: | 8 |
| TPSA: | 38.82 | NumAromaticRings: | 0 |
