Glycoside
GD072823
Name:
NoneFormula:
C12H16O6N3BrSmiles:
O=C(C(=O)N1CCn2c(Br)cnc2C1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Brc1cnc2n1CCNC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.18 | Num_heavy_atoms: | 22 |
| TPSA: | 136.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD33889
Formula: C6H8N3Br
Smiles:
Brc1cnc2n1CCNC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 0 |
| MolWt: | 202.05 | Num_heavy_atoms: | 10 |
| TPSA: | 29.85 | NumAromaticRings: | 1 |
