Glycoside
GD002826
Name:
NoneFormula:
C13H16O5N6Smiles:
Nc1ncnc2c1ncn2C1O[C@H](C(=O)N(O)C2CC2)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CN(O)C1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.31 | Num_heavy_atoms: | 24 |
| TPSA: | 159.85 | 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 |
AD02651
Formula: C4H7O2N
Smiles:
O=CN(O)C1CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 101.11 | Num_heavy_atoms: | 7 |
| TPSA: | 40.54 | NumAromaticRings: | 0 |
