Glycoside
GD091116
Name:
NoneFormula:
C15H19O5N6BrSmiles:
O=C(NCC1CC1)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
O=C(NCC1CC1)Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 443.26 | Num_heavy_atoms: | 27 |
| TPSA: | 154.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD39713
Formula: C10H10ON6Br
Smiles:
O=C(NCC1CC1)Nc1ncnc2c1N=C(Br)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 310.13 | Num_heavy_atoms: | 18 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
