Glycoside
GD100913
Name:
NoneFormula:
C16H16O5N7BrSmiles:
O=C(Nc1cccnc1)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
O=C(Nc1cccnc1)Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.25 | Num_heavy_atoms: | 29 |
| TPSA: | 167.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD42641
Formula: C11H7ON7Br
Smiles:
O=C(Nc1cccnc1)Nc1ncnc2c1N=C(Br)[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 333.13 | Num_heavy_atoms: | 20 |
| TPSA: | 106.26 | NumAromaticRings: | 2 |
