Glycoside
GD102476
Name:
NoneFormula:
C19H19O4N6ClSSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC(=S)NCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1OAglycone:
S=C(NCc1ccccc1)Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.91 | Num_heavy_atoms: | 30 |
| TPSA: | 137.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD43375
Formula: C14H10N6ClS
Smiles:
S=C(NCc1ccccc1)Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 317.79 | Num_heavy_atoms: | 21 |
| TPSA: | 76.3 | NumAromaticRings: | 2 |
