Glycoside
GD026171
Name:
NoneFormula:
C40H38O6N7F3SSmiles:
Nc1sc(-c2ccc(C(=O)NCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1Aglycone:
Nc1sc(-c2ccc(C(=O)NCCCCCNc3ncnc4c3N=C[N]4)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.28 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 14 |
| MolWt: | 801.85 | Num_heavy_atoms: | 57 |
| TPSA: | 197.74 | NumAromaticRings: | 6 |
Unique Aglycone
AD17270
Formula: C35H29O2N7F3S
Smiles:
Nc1sc(-c2ccc(C(=O)NCCCCCNc3ncnc4c3N=C[N]4)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 7.63 | Num_rotatable_bonds: | 12 |
| MolWt: | 668.73 | Num_heavy_atoms: | 48 |
| TPSA: | 136.46 | NumAromaticRings: | 5 |
