Glycoside
GD036532
Name:
NoneFormula:
C19H20O4N10SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)CSc2nnnn2-c2ccccc2)[C@H](O)[C@H]1OAglycone:
CNC(=O)CSc1nnnn1-c1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 484.5 | Num_heavy_atoms: | 34 |
| TPSA: | 192.01 | NumAromaticRings: | 4 |
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 |
AD23028
Formula: C10H11ON5S
Smiles:
CNC(=O)CSc1nnnn1-c1ccccc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 249.3 | Num_heavy_atoms: | 17 |
| TPSA: | 72.7 | NumAromaticRings: | 2 |
