Glycoside
GD095125
Name:
NoneFormula:
C20H26O9N3FSmiles:
O=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 471.44 | Num_heavy_atoms: | 33 |
| TPSA: | 169.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD40615
Formula: C14H18O3N3F
Smiles:
NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.31 | Num_heavy_atoms: | 21 |
| TPSA: | 68.03 | NumAromaticRings: | 1 |
