Glycoside
GD023275
Name:
NoneFormula:
C13H20O5N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCC(O)CO)[C@H](O)[C@H]1OAglycone:
CNCC(O)CO.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 340.34 | Num_heavy_atoms: | 24 |
| TPSA: | 171.8 | 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 |
AD15674
Formula: C4H11O2N
Smiles:
CNCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 105.14 | Num_heavy_atoms: | 7 |
| TPSA: | 52.49 | NumAromaticRings: | 0 |
