Glycoside
GD103199
Name:
NoneFormula:
C20H21O6N6ClSSmiles:
COc1ccc(NC(=S)Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1OCAglycone:
COc1ccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)cc1OCSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.93 | Num_heavy_atoms: | 33 |
| TPSA: | 156.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD43664
Formula: C15H12O2N6ClS
Smiles:
COc1ccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)cc1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 363.81 | Num_heavy_atoms: | 24 |
| TPSA: | 94.76 | NumAromaticRings: | 2 |
