Glycoside
GD030154
Name:
NoneFormula:
C13H12O4N5ClSmiles:
N#C[C@@]1(c2cc(Cl)c3c(N)ncnn23)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnn2ccc(Cl)c12Sugarmoiety:
N#CC1(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 325.71 | Num_heavy_atoms: | 22 |
| TPSA: | 149.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD06340
Formula: C7H5N4Cl
Smiles:
Nc1ncnn2ccc(Cl)c12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.59 | Num_heavy_atoms: | 11 |
| TPSA: | 56.21 | NumAromaticRings: | 2 |
