Glycoside
GD100935
Name:
NoneFormula:
C16H21O5N6BrSmiles:
O=C(Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)NC1CCCC1Aglycone:
O=C(Nc1ncnc2c1N=C(Br)[N]2)NC1CCCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 457.29 | Num_heavy_atoms: | 28 |
| TPSA: | 154.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD42654
Formula: C11H12ON6Br
Smiles:
O=C(Nc1ncnc2c1N=C(Br)[N]2)NC1CCCC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 324.16 | Num_heavy_atoms: | 19 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
