Glycoside
GD026728
Name:
NoneFormula:
C22H30O7N5SBrSmiles:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCO[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c2n1Aglycone:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCO)c2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 588.48 | Num_heavy_atoms: | 36 |
| TPSA: | 178.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD17605
Formula: C16H20O2N5SBr
Smiles:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCO)c2n1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 426.34 | Num_heavy_atoms: | 25 |
| TPSA: | 99.08 | NumAromaticRings: | 3 |
