Glycoside
GD022598
Name:
NoneFormula:
C16H22O5N6SSmiles:
CN1C[C@H](SC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)C(O)[C@H]2O)C[C@H]1C(=O)OAglycone:
CSC1CC(C(=O)O)N(C)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.46 | Num_heavy_atoms: | 28 |
| 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 |
AD15301
Formula: C7H13O2NS
Smiles:
CSC1CC(C(=O)O)N(C)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 175.25 | Num_heavy_atoms: | 11 |
| TPSA: | 40.54 | NumAromaticRings: | 0 |
