Glycoside
GD014962
Name:
NoneFormula:
C30H37O10N4F3S2Smiles:
N[C@H](CC(=O)NC1(c2nc3ccc(OCC(=O)NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc3s2)CCS(=O)(=O)CC1)Cc1cc(F)c(F)cc1FAglycone:
CNC(=O)COc1ccc2nc(C3(NC(=O)CC(N)Cc4cc(F)c(F)cc4F)CCS(=O)(=O)CC3)sc2c1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 15 |
| MolWt: | 734.77 | Num_heavy_atoms: | 49 |
| TPSA: | 241.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD10948
Formula: C25H27O5N4F3S2
Smiles:
CNC(=O)COc1ccc2nc(C3(NC(=O)CC(N)Cc4cc(F)c(F)cc4F)CCS(=O)(=O)CC3)sc2c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 584.64 | Num_heavy_atoms: | 39 |
| TPSA: | 140.48 | NumAromaticRings: | 3 |
