Glycoside
GD102510
Name:
NoneFormula:
C20H19O6N6ClSSmiles:
COC(=O)c1cccc(NC(=S)Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Aglycone:
COC(=O)c1cccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.92 | Num_heavy_atoms: | 33 |
| TPSA: | 163.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD43388
Formula: C15H10O2N6ClS
Smiles:
COC(=O)c1cccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 361.79 | Num_heavy_atoms: | 24 |
| TPSA: | 102.6 | NumAromaticRings: | 2 |
