Glycoside
GD059223
Name:
NoneFormula:
C12H14O4N3BrSmiles:
OC[C@@H](O)[C@H](O)[C@H](O)c1cnn(-c2ccc(Br)cc2)n1Aglycone:
Brc1ccc(-n2nccn2)cc1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.17 | Num_heavy_atoms: | 20 |
| TPSA: | 111.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD29396
Formula: C8H6N3Br
Smiles:
Brc1ccc(-n2nccn2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 224.06 | Num_heavy_atoms: | 12 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
