Glycoside
GD012703
Name:
NoneFormula:
C37H43O15NF2SSmiles:
O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@H](c2ccc(OS(=O)(=O)C[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc2)N1c1ccc(F)cc1Aglycone:
CS(=O)(=O)Oc1ccc(C2C(CCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.49 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 14 |
| MolWt: | 811.81 | Num_heavy_atoms: | 56 |
| TPSA: | 253.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD09551
Formula: C25H23O5NF2S
Smiles:
CS(=O)(=O)Oc1ccc(C2C(CCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 487.52 | Num_heavy_atoms: | 34 |
| TPSA: | 83.91 | NumAromaticRings: | 3 |
