Glycoside
GD074577
Name:
NoneFormula:
C12H16O7N3BrSmiles:
O=C(COc1ncc(Br)cn1)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)COc1ncc(Br)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 394.18 | Num_heavy_atoms: | 23 |
| TPSA: | 154.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD34478
Formula: C6H6O2N3Br
Smiles:
NC(=O)COc1ncc(Br)cn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 232.04 | Num_heavy_atoms: | 12 |
| TPSA: | 78.1 | NumAromaticRings: | 1 |
