Glycoside
GD073288
Name:
NoneFormula:
C11H14O7N3BrSmiles:
Cn1ncc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c(Br)c1=OAglycone:
Cn1ncc(N)c(Br)c1=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 380.15 | Num_heavy_atoms: | 22 |
| TPSA: | 161.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD34006
Formula: C5H6ON3Br
Smiles:
Cn1ncc(N)c(Br)c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 204.03 | Num_heavy_atoms: | 10 |
| TPSA: | 60.91 | NumAromaticRings: | 1 |
