Glycoside
GD009462
Name:
NoneFormula:
C18H22O7N5SBrSmiles:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCO[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c2n1Aglycone:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCO)c2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 532.37 | Num_heavy_atoms: | 32 |
| TPSA: | 178.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD07415
Formula: C12H12O2N5SBr
Smiles:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCO)c2n1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.23 | Num_heavy_atoms: | 21 |
| TPSA: | 99.08 | NumAromaticRings: | 3 |
