Glycoside
GD092058
Name:
NoneFormula:
C15H20O4N6BrSmiles:
OC[C@H]1O[C@@H](n2c(Br)nc3c(NC4=C[NH2+]CCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
BrC1=Nc2c(ncnc2NC2=C[NH2+]CCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.27 | Num_heavy_atoms: | 26 |
| TPSA: | 142.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD40185
Formula: C10H11N6Br
Smiles:
BrC1=Nc2c(ncnc2NC2=C[NH2+]CCC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 295.14 | Num_heavy_atoms: | 17 |
| TPSA: | 80.88 | NumAromaticRings: | 1 |
