Glycoside
GD001506
Name:
NoneFormula:
C18H18O5N5BrSmiles:
CC(=O)Nc1nc(OCc2ccc(Br)cc2)c2ncn([C@@H]3C[C@H](O)[C@H](O)O3)c2n1Aglycone:
CC(=O)Nc1nc2c(c(OCc3ccc(Br)cc3)n1)N=C[N]2Sugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.28 | Num_heavy_atoms: | 29 |
| TPSA: | 131.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD01505
Formula: C14H11O2N5Br
Smiles:
CC(=O)Nc1nc2c(c(OCc3ccc(Br)cc3)n1)N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 361.18 | Num_heavy_atoms: | 22 |
| TPSA: | 90.57 | NumAromaticRings: | 2 |
