Glycoside
GD090229
Name:
NoneFormula:
C18H21O6N5SSmiles:
Cc1cccc(S(=O)(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1CAglycone:
Cc1cccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)c1CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 435.46 | Num_heavy_atoms: | 30 |
| TPSA: | 159.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD39257
Formula: C13H12O2N5S
Smiles:
Cc1cccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)c1C| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.34 | Num_heavy_atoms: | 21 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
