Glycoside
GD031285
Name:
NoneFormula:
C14H21O5N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCC[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CNCCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 367.37 | Num_heavy_atoms: | 26 |
| TPSA: | 194.66 | 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 |
AD16960
Formula: C5H12O2N2
Smiles:
CNCCC(N)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 75.35 | NumAromaticRings: | 0 |
