Glycoside
GD017420
Name:
NoneFormula:
C20H22O7N5SBrSmiles:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CC#CCO[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c2n1Aglycone:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CC#CCO)c2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 556.4 | Num_heavy_atoms: | 34 |
| TPSA: | 178.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD12430
Formula: C14H12O2N5SBr
Smiles:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CC#CCO)c2n1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.25 | Num_heavy_atoms: | 23 |
| TPSA: | 99.08 | NumAromaticRings: | 3 |
