Glycoside
GD007363
Name:
NoneFormula:
C34H36O5N7F3SSmiles:
Nc1cc(-c2cccc(C(F)(F)F)c2)c(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc2)s1Aglycone:
Nc1cc(-c2cccc(C(F)(F)F)c2)c(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3N=C[N]4)cc2)s1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 13 |
| MolWt: | 711.77 | Num_heavy_atoms: | 50 |
| TPSA: | 180.67 | NumAromaticRings: | 5 |
Unique Aglycone
AD06003
Formula: C29H27ON7F3S
Smiles:
Nc1cc(-c2cccc(C(F)(F)F)c2)c(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3N=C[N]4)cc2)s1| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 6.78 | Num_rotatable_bonds: | 11 |
| MolWt: | 578.64 | Num_heavy_atoms: | 41 |
| TPSA: | 119.39 | NumAromaticRings: | 4 |
