Glycoside
GD092051
Name:
NoneFormula:
C20H28O6N2F3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cccc(C(F)(F)F)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1C[NH2+]CC1c1cccc(C(F)(F)F)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.45 | Num_heavy_atoms: | 31 |
| TPSA: | 124.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD40182
Formula: C14H18O2N2F3
Smiles:
O=C(NCCO)C1C[NH2+]CC1c1cccc(C(F)(F)F)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 303.3 | Num_heavy_atoms: | 21 |
| TPSA: | 65.94 | NumAromaticRings: | 1 |
