Glycoside
GD006487
Name:
NoneFormula:
C19H20O3N9BrSmiles:
CCn1nnc([C@@H]2O[C@H](n3cnc4c(NCc5cccc(Br)c5)ncnc43)[C@H](O)[C@H]2O)n1Aglycone:
Brc1cccc(CNc2ncnc3c2N=C[N]3)c1.CCn1ncnn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 502.33 | Num_heavy_atoms: | 32 |
| TPSA: | 148.92 | NumAromaticRings: | 4 |
Unique Aglycone
AD00166
Formula: C3H6N4
Smiles:
CCn1ncnn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 98.11 | Num_heavy_atoms: | 7 |
| TPSA: | 43.6 | NumAromaticRings: | 1 |
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 |
