Glycoside
GD095749
Name:
NoneFormula:
C15H13O6N5ClBrSmiles:
Cn1c(Br)c(C#N)c2c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)nc(Cl)nc21Aglycone:
Cn1c(Br)c(C#N)c2c(N)nc(Cl)nc21Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.64 | Num_heavy_atoms: | 27 |
| TPSA: | 181.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD40811
Formula: C9H5N5ClBr
Smiles:
Cn1c(Br)c(C#N)c2c(N)nc(Cl)nc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 286.52 | Num_heavy_atoms: | 15 |
| TPSA: | 80.52 | NumAromaticRings: | 2 |
