Glycoside
GD016952
Name:
NoneFormula:
C13H19O4N7Smiles:
NCCC(=O)NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNC(=O)CCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 337.34 | Num_heavy_atoms: | 24 |
| TPSA: | 174.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD10031
Formula: C4H10ON2
Smiles:
CNC(=O)CCN| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.14 | Num_heavy_atoms: | 7 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
