Glycoside
GD091290
Name:
NoneFormula:
C17H20O6N3BrSmiles:
Cc1c(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cnn1-c1ccc(Br)cc1Aglycone:
Cc1c(C(N)=O)cnn1-c1ccc(Br)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 442.27 | Num_heavy_atoms: | 27 |
| TPSA: | 137.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD39816
Formula: C11H10ON3Br
Smiles:
Cc1c(C(N)=O)cnn1-c1ccc(Br)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 280.12 | Num_heavy_atoms: | 16 |
| TPSA: | 60.91 | NumAromaticRings: | 2 |
