Glycoside
GD101443
Name:
NoneFormula:
C16H14O4N6ClBrSmiles:
OC[C@H]1O[C@@H](n2cnc3c(Nc4ccnc(Br)c4)nc(Cl)nc32)[C@H](O)[C@@H]1OAglycone:
Clc1nc2c(c(Nc3ccnc(Br)c3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 457.67 | Num_heavy_atoms: | 27 |
| TPSA: | 138.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD42943
Formula: C11H5N6ClBr
Smiles:
Clc1nc2c(c(Nc3ccnc(Br)c3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 324.55 | Num_heavy_atoms: | 18 |
| TPSA: | 77.16 | NumAromaticRings: | 2 |
