Glycoside
GD091860
Name:
NoneFormula:
C16H18O6N3BrSmiles:
O=c1c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(Br)cnn1-c1ccccc1Aglycone:
Nc1c(Br)cnn(-c2ccccc2)c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.24 | Num_heavy_atoms: | 26 |
| TPSA: | 137.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD40060
Formula: C10H8ON3Br
Smiles:
Nc1c(Br)cnn(-c2ccccc2)c1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 266.1 | Num_heavy_atoms: | 15 |
| TPSA: | 60.91 | NumAromaticRings: | 2 |
