Glycoside
GD004764
Name:
NoneFormula:
C22H25O6N6ClSSmiles:
O=S(=O)(c1ccccc1)C1CCN(Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)CC1Aglycone:
O=S(=O)(c1ccccc1)C1CCN(Nc2nc(Cl)nc3c2N=C[N]3)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.99 | Num_heavy_atoms: | 35 |
| TPSA: | 162.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD04118
Formula: C17H16O2N6ClS
Smiles:
O=S(=O)(c1ccccc1)C1CCN(Nc2nc(Cl)nc3c2N=C[N]3)CC1| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 391.86 | Num_heavy_atoms: | 26 |
| TPSA: | 101.65 | NumAromaticRings: | 2 |
