Glycoside
GD076716
Name:
NoneFormula:
C13H15O5N4BrSmiles:
CC(=O)Nc1cc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(Br)n1Aglycone:
CC(=O)Nc1cc2c(c(Br)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 387.19 | Num_heavy_atoms: | 23 |
| TPSA: | 129.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD35305
Formula: C8H6ON4Br
Smiles:
CC(=O)Nc1cc2c(c(Br)n1)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.07 | Num_heavy_atoms: | 14 |
| TPSA: | 68.45 | NumAromaticRings: | 1 |
