Glycoside
GD099620
Name:
NoneFormula:
C17H18O5N5SBrSmiles:
Nc1nc2c(nc(SCc3ccccc3Br)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)N=C(SCc1ccccc1Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.33 | Num_heavy_atoms: | 29 |
| TPSA: | 159.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD42282
Formula: C12H9ON5SBr
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(SCc1ccccc1Br)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 351.21 | Num_heavy_atoms: | 20 |
| TPSA: | 98.23 | NumAromaticRings: | 2 |
