Glycoside
GD082356
Name:
NoneFormula:
C16H21O7N2F3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cccc(=O)n2CC(F)(F)F)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cccc(=O)n1CC(F)(F)FSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 410.35 | Num_heavy_atoms: | 28 |
| TPSA: | 130.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD37001
Formula: C10H11O3N2F3
Smiles:
O=C(NCCO)c1cccc(=O)n1CC(F)(F)F| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 264.2 | Num_heavy_atoms: | 18 |
| TPSA: | 71.33 | NumAromaticRings: | 1 |
