Glycoside
GD083404
Name:
NoneFormula:
C15H18O6N5ClSSmiles:
O=S(=O)(Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1CCC1Aglycone:
O=S(=O)(Nc1nc(Cl)nc2c1N=C[N]2)C1CCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 419.85 | Num_heavy_atoms: | 27 |
| TPSA: | 159.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD37233
Formula: C10H9O2N5ClS
Smiles:
O=S(=O)(Nc1nc(Cl)nc2c1N=C[N]2)C1CCC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.72 | Num_heavy_atoms: | 18 |
| TPSA: | 98.41 | NumAromaticRings: | 1 |
