Glycoside
GD026714
Name:
NoneFormula:
C18H25O6N7SSmiles:
CN(Cc1ccc(CNC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)o1)S(C)(=O)=OAglycone:
CNCc1ccc(CN(C)S(C)(=O)=O)o1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 467.51 | Num_heavy_atoms: | 32 |
| TPSA: | 181.86 | 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 |
AD17594
Formula: C9H16O3N2S
Smiles:
CNCc1ccc(CN(C)S(C)(=O)=O)o1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 232.3 | Num_heavy_atoms: | 15 |
| TPSA: | 62.55 | NumAromaticRings: | 1 |
