Glycoside
GD090209
Name:
NoneFormula:
C19H21O6N5SSmiles:
O=S(=O)(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc2c(c1)CCC2Aglycone:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccc2c(c1)CCC2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 447.47 | Num_heavy_atoms: | 31 |
| TPSA: | 159.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD39247
Formula: C14H12O2N5S
Smiles:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccc2c(c1)CCC2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.35 | Num_heavy_atoms: | 22 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
