Glycoside
GD102276
Name:
NoneFormula:
C17H22O5N5BrSmiles:
COC1CCC(=Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1Aglycone:
COC1CCC(=Nc2ncnc3c2N=C(Br)[N]3)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 456.3 | Num_heavy_atoms: | 28 |
| TPSA: | 135.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD43287
Formula: C12H13ON5Br
Smiles:
COC1CCC(=Nc2ncnc3c2N=C(Br)[N]3)CC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 323.17 | Num_heavy_atoms: | 19 |
| TPSA: | 73.83 | NumAromaticRings: | 1 |
