Glycoside
GD018508
Name:
NoneFormula:
C17H18O4N5BrSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NCc4cccc(Br)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Brc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.27 | Num_heavy_atoms: | 27 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD02134
Formula: C12H9N5Br
Smiles:
Brc1cccc(CNc2ncnc3c2N=C[N]3)c1| 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 |
