Glycoside
GD106349
Name:
NoneFormula:
C26H28O8N5F3ClSmiles:
C[NH2+]C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)c1cn(-c2nc(N)c(F)cc2F)c2c(Cl)c(N3CC(O)C3)c(F)cc2c1=OAglycone:
Nc1nc(-n2cc(C=O)c(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c32)c(F)cc1FSugarmoiety:
C[NH2+]CC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.4 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 618.97 | Num_heavy_atoms: | 42 |
| TPSA: | 208.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD44154
Formula: C19H12O3N4F3Cl
Smiles:
Nc1nc(-n2cc(C=O)c(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c32)c(F)cc1F| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 424.77 | Num_heavy_atoms: | 29 |
| TPSA: | 101.45 | NumAromaticRings: | 3 |
