Glycoside
GD021440
Name:
NoneFormula:
C18H19O7N5SSmiles:
CS(=O)(=O)c1ccc(C(=O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
COC(=O)c1ccc(S(C)(=O)=O)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 449.45 | Num_heavy_atoms: | 31 |
| TPSA: | 179.75 | 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 |
AD14665
Formula: C9H10O4S
Smiles:
COC(=O)c1ccc(S(C)(=O)=O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 214.24 | Num_heavy_atoms: | 14 |
| TPSA: | 60.44 | NumAromaticRings: | 1 |
