Glycoside
GD008478
Name:
NoneFormula:
C22H21O7N3F3ClSmiles:
O=c1n(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)nc2cc(OCC(F)(F)F)ccn12Aglycone:
O=c1n(Cc2ccccc2Cl)nc2cc(OCC(F)(F)F)ccn12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 519.86 | Num_heavy_atoms: | 35 |
| TPSA: | 138.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD06765
Formula: C16H11O2N3F3Cl
Smiles:
O=c1n(Cc2ccccc2Cl)nc2cc(OCC(F)(F)F)ccn12| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 357.72 | Num_heavy_atoms: | 24 |
| TPSA: | 48.53 | NumAromaticRings: | 3 |
