Glycoside
GD101312
Name:
NoneFormula:
C18H22O5N6S2Smiles:
CNS(=O)(=O)c1cccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CSC)[C@@H](O)[C@H]2O)c1Aglycone:
CNS(=O)(=O)c1cccc(Nc2ncnc3c2N=C[N]3)c1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.55 | Num_heavy_atoms: | 31 |
| TPSA: | 151.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD42868
Formula: C12H11O2N6S
Smiles:
CNS(=O)(=O)c1cccc(Nc2ncnc3c2N=C[N]3)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 303.33 | Num_heavy_atoms: | 21 |
| TPSA: | 110.44 | NumAromaticRings: | 2 |
