Glycoside
GD066171
Name:
NoneFormula:
C11H16O6N3BrSmiles:
Cn1cc(Br)c(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)n1Aglycone:
Cn1cc(Br)c(CN)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 366.17 | Num_heavy_atoms: | 21 |
| TPSA: | 144.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD31741
Formula: C5H8N3Br
Smiles:
Cn1cc(Br)c(CN)n1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 190.04 | Num_heavy_atoms: | 9 |
| TPSA: | 43.84 | NumAromaticRings: | 1 |
