Glycoside
GD019344
Name:
NoneFormula:
C42H42O6N7F3SSmiles:
Nc1sc(-c2ccc(C(=O)NCCCCCCCNc3ncnc4c3ncn4[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)NCCCCCCCNc3ncnc4c3N=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: | 0.31 |
| AlogP: | 6.46 | Num_rotatable_bonds: | 16 |
| MolWt: | 829.9 | Num_heavy_atoms: | 59 |
| TPSA: | 197.74 | NumAromaticRings: | 6 |
Unique Aglycone
AD13517
Formula: C37H33O2N7F3S
Smiles:
Nc1sc(-c2ccc(C(=O)NCCCCCCCNc3ncnc4c3N=C[N]4)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 8.41 | Num_rotatable_bonds: | 14 |
| MolWt: | 696.78 | Num_heavy_atoms: | 50 |
| TPSA: | 136.46 | NumAromaticRings: | 5 |
