Glycoside
GD091391
Name:
NoneFormula:
C17H18O6N3BrSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1nc(-c2ccccc2)ncc1BrAglycone:
NC(=O)c1nc(-c2ccccc2)ncc1BrSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.25 | Num_heavy_atoms: | 27 |
| TPSA: | 145.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD39872
Formula: C11H8ON3Br
Smiles:
NC(=O)c1nc(-c2ccccc2)ncc1Br| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 278.11 | Num_heavy_atoms: | 16 |
| TPSA: | 68.87 | NumAromaticRings: | 2 |
