Glycoside
GD078085
Name:
NoneFormula:
C16H18O4N6SSmiles:
Cc1ccc(Nc2[nH]c(=S)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1Aglycone:
Cc1ccc(Nc2[nH]c(=S)nc3c2N=C[N]3)cn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.43 | Num_heavy_atoms: | 27 |
| TPSA: | 141.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD35797
Formula: C11H9N6S
Smiles:
Cc1ccc(Nc2[nH]c(=S)nc3c2N=C[N]3)cn1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 257.3 | Num_heavy_atoms: | 18 |
| TPSA: | 80.06 | NumAromaticRings: | 2 |
