Glycoside
GD092060
Name:
NoneFormula:
C16H22O4N6BrSmiles:
OC[C@H]1O[C@@H](n2c(Br)nc3c(/N=C4\CCC[NH2+]CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
BrC1=Nc2c(ncnc2N=C2CCC[NH2+]CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 442.29 | Num_heavy_atoms: | 27 |
| TPSA: | 142.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD40187
Formula: C11H13N6Br
Smiles:
BrC1=Nc2c(ncnc2N=C2CCC[NH2+]CC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 309.17 | Num_heavy_atoms: | 18 |
| TPSA: | 81.21 | NumAromaticRings: | 1 |
