Glycoside
GD022364
Name:
NoneFormula:
C14H18O5N6Smiles:
Nc1ncnc2c1ncn2C1O[C@H](C(=O)N2CCOCC2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CN1CCOCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 350.34 | Num_heavy_atoms: | 25 |
| TPSA: | 148.85 | 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 |
AD05370
Formula: C5H9O2N
Smiles:
O=CN1CCOCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 115.13 | Num_heavy_atoms: | 8 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
