Glycoside
GD083422
Name:
NoneFormula:
C17H19O6N5SSmiles:
Nc1ccccc1S(=O)(=O)Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Nc1ccccc1S(=O)(=O)Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 421.44 | Num_heavy_atoms: | 29 |
| TPSA: | 172.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD37238
Formula: C12H10O2N5S
Smiles:
Nc1ccccc1S(=O)(=O)Nc1ncnc2c1C=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.31 | Num_heavy_atoms: | 20 |
| TPSA: | 112.07 | NumAromaticRings: | 2 |
