Glycoside
GD033030
Name:
NoneFormula:
C29H37O9N4FSmiles:
COc1c(N2C[C@@H]3CCCN(C(C)=O)[C@H]3C2)c(F)cc2c(=O)c(C(=O)N[C@@H]3C(O)O[C@H](CO)[C@H](O)[C@H]3O)cn(C3CC3)c12Aglycone:
COc1c(N2CC3CCCN(C(C)=O)C3C2)c(F)cc2c(=O)c(C(N)=O)cn(C3CC3)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 604.63 | Num_heavy_atoms: | 43 |
| TPSA: | 174.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD21112
Formula: C23H27O4N4F
Smiles:
COc1c(N2CC3CCCN(C(C)=O)C3C2)c(F)cc2c(=O)c(C(N)=O)cn(C3CC3)c12| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.52 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 442.49 | Num_heavy_atoms: | 32 |
| TPSA: | 97.87 | NumAromaticRings: | 2 |
