Glycoside
GD100721
Name:
NoneFormula:
C21H21O6N5SSmiles:
Cc1cnc2c(S(=O)(=O)Nc3ncnc4c3ccn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cccc2c1Aglycone:
Cc1cnc2c(S(=O)(=O)Nc3ncnc4c3C=C[N]4)cccc2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 471.5 | Num_heavy_atoms: | 33 |
| TPSA: | 159.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD42533
Formula: C16H12O2N5S
Smiles:
Cc1cnc2c(S(=O)(=O)Nc3ncnc4c3C=C[N]4)cccc2c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 338.37 | Num_heavy_atoms: | 24 |
| TPSA: | 98.94 | NumAromaticRings: | 3 |
