Glycoside
GD100654
Name:
NoneFormula:
C18H17O6N5S2Smiles:
O=S(=O)(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1csc2ccccc12Aglycone:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1csc2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 463.5 | Num_heavy_atoms: | 31 |
| TPSA: | 159.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD42492
Formula: C13H8O2N5S2
Smiles:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1csc2ccccc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.37 | Num_heavy_atoms: | 22 |
| TPSA: | 98.41 | NumAromaticRings: | 3 |
