Glycoside
GD021787
Name:
NoneFormula:
C18H19O4N6BrSmiles:
CNC(=O)[C@@H]1OC(n2cnc3c(NCc4ccc(Br)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
Brc1ccc(CNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 463.29 | Num_heavy_atoms: | 29 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD14838
Formula: C12H9N5Br
Smiles:
Brc1ccc(CNc2ncnc3c2N=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 303.14 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
