Glycoside
GD012807
Name:
NoneFormula:
C17H24O5N6SSmiles:
COC(=O)[C@@H]1C[C@H](SC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)CN1CAglycone:
COC(=O)C1CC(SC)CN1C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.48 | Num_heavy_atoms: | 29 |
| TPSA: | 148.85 | 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 |
AD09621
Formula: C8H15O2NS
Smiles:
COC(=O)C1CC(SC)CN1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 189.28 | Num_heavy_atoms: | 12 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
