Glycoside
GD103141
Name:
NoneFormula:
C18H20O5N5BrSmiles:
Cc1cc(Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1COAglycone:
Cc1cc(Nc2ncnc3c2N=C(Br)[N]3)ccc1COSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.29 | Num_heavy_atoms: | 29 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD43636
Formula: C13H11ON5Br
Smiles:
Cc1cc(Nc2ncnc3c2N=C(Br)[N]3)ccc1CO| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.17 | Num_heavy_atoms: | 20 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
