Glycoside
GD033051
Name:
NoneFormula:
C13H16O6N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)CC(=O)O)[C@H](O)[C@H]1OAglycone:
CNC(=O)CC(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 352.31 | Num_heavy_atoms: | 25 |
| TPSA: | 185.71 | 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 |
AD21125
Formula: C4H7O3N
Smiles:
CNC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 117.1 | Num_heavy_atoms: | 8 |
| TPSA: | 66.4 | NumAromaticRings: | 0 |
