Glycoside
GD012558
Name:
NoneFormula:
C19H17O4N6ClSSmiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc32)[C@H](O)[C@H]1OAglycone:
CNc1nc(C#Cc2ccc(Cl)s2)nc2c1N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 448.89 | Num_heavy_atoms: | 30 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD09461
Formula: C13H7N5ClS
Smiles:
CNc1nc(C#Cc2ccc(Cl)s2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.74 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
