Glycoside
GD015234
Name:
NoneFormula:
C16H16O5N5BrSmiles:
Nc1nc(OCc2ccc(Br)cc2)c2ncn(C3O[C@H](O)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc2c(c(OCc3ccc(Br)cc3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.24 | Num_heavy_atoms: | 27 |
| TPSA: | 148.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD11091
Formula: C12H9ON5Br
Smiles:
Nc1nc2c(c(OCc3ccc(Br)cc3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 319.14 | Num_heavy_atoms: | 19 |
| TPSA: | 87.49 | NumAromaticRings: | 2 |
