Glycoside
GD010517
Name:
NoneFormula:
C15H24O5N8SSmiles:
CN1CCN(S(=O)(=O)NC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)CC1Aglycone:
CNS(=O)(=O)N1CCN(C)CC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -2.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.48 | Num_heavy_atoms: | 29 |
| TPSA: | 171.96 | 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 |
AD08112
Formula: C6H15O2N3S
Smiles:
CNS(=O)(=O)N1CCN(C)CC1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 193.27 | Num_heavy_atoms: | 12 |
| TPSA: | 52.65 | NumAromaticRings: | 0 |
