Glycoside
GD023568
Name:
NoneFormula:
C16H16O3N5BrSmiles:
O[C@@H]1[C@@H](n2cnc3c(NCc4cccc(Br)c4)ncnc32)OC[C@H]1OAglycone:
Brc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 406.24 | Num_heavy_atoms: | 25 |
| TPSA: | 105.32 | 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 |
