Glycoside
GD091438
Name:
NoneFormula:
C17H20O6N3BrSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cncn1Cc1cccc(Br)c1Aglycone:
NC(=O)c1cncn1Cc1cccc(Br)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.27 | Num_heavy_atoms: | 27 |
| TPSA: | 137.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD39895
Formula: C11H10ON3Br
Smiles:
NC(=O)c1cncn1Cc1cccc(Br)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 280.12 | Num_heavy_atoms: | 16 |
| TPSA: | 60.91 | NumAromaticRings: | 2 |
