Glycoside
GD035289
Name:
NoneFormula:
C22H26O6N8SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNC(=O)C2Cc3ccc([N+](=O)[O-])cc3CN2)[C@H](O)[C@H]1OAglycone:
CSCCNC(=O)C1Cc2ccc([N+](=O)[O-])cc2CN1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 530.57 | Num_heavy_atoms: | 37 |
| TPSA: | 203.58 | NumAromaticRings: | 3 |
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 |
AD22338
Formula: C13H17O3N3S
Smiles:
CSCCNC(=O)C1Cc2ccc([N+](=O)[O-])cc2CN1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 295.36 | Num_heavy_atoms: | 20 |
| TPSA: | 84.27 | NumAromaticRings: | 1 |
