Glycoside
GD098071
Name:
NoneFormula:
C17H21O5N6BrSmiles:
CC(=O)N1CCC(=Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1Aglycone:
CC(=O)N1CCC(=Nc2ncnc3c2N=C(Br)[N]3)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 469.3 | Num_heavy_atoms: | 29 |
| TPSA: | 146.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD41726
Formula: C12H12ON6Br
Smiles:
CC(=O)N1CCC(=Nc2ncnc3c2N=C(Br)[N]3)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 336.17 | Num_heavy_atoms: | 20 |
| TPSA: | 84.91 | NumAromaticRings: | 1 |
