Glycoside
GD091375
Name:
NoneFormula:
C18H18O5N6SSmiles:
O=C(NC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1Aglycone:
O=C(NC(=S)Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.45 | Num_heavy_atoms: | 30 |
| TPSA: | 154.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD39861
Formula: C13H9ON6S
Smiles:
O=C(NC(=S)Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 297.32 | Num_heavy_atoms: | 21 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
