Glycoside
GD100313
Name:
NoneFormula:
C21H26O7N4SSmiles:
COc1cc(C)c(S(=O)(=O)Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(C)c1CAglycone:
COc1cc(C)c(S(=O)(=O)Nc2ncnc3c2C=C[N]3)c(C)c1CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.53 | Num_heavy_atoms: | 33 |
| TPSA: | 156.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD42387
Formula: C16H17O3N4S
Smiles:
COc1cc(C)c(S(=O)(=O)Nc2ncnc3c2C=C[N]3)c(C)c1C| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 345.4 | Num_heavy_atoms: | 24 |
| TPSA: | 95.28 | NumAromaticRings: | 2 |
