Glycoside
GD001172
Name:
NoneFormula:
C17H18O4N6SSmiles:
NC(=S)c1ccc(OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(C(N)=S)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.44 | Num_heavy_atoms: | 28 |
| TPSA: | 154.56 | 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 |
AD01221
Formula: C8H9ONS
Smiles:
COc1ccc(C(N)=S)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.23 | Num_heavy_atoms: | 11 |
| TPSA: | 35.25 | NumAromaticRings: | 1 |
