Glycoside
GD102131
Name:
NoneFormula:
C20H19O6N4BrSmiles:
Nc1ccc2ncnc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c3cccc(Br)c3)c2c1Aglycone:
Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.2 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.3 | Num_heavy_atoms: | 31 |
| TPSA: | 170.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD43220
Formula: C14H11N4Br
Smiles:
Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 315.17 | Num_heavy_atoms: | 19 |
| TPSA: | 63.83 | NumAromaticRings: | 3 |
