Glycoside
GD009727
Name:
NoneFormula:
C37H43O14NF2SSmiles:
O=C1[C@H](CCCc2ccc(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(CCCc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.49 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 14 |
| MolWt: | 795.81 | Num_heavy_atoms: | 55 |
| TPSA: | 232.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD07603
Formula: C25H23O4NF2S
Smiles:
CS(=O)(=O)Oc1ccc(C2C(CCCc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.24 |
| AlogP: | 5.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 471.53 | Num_heavy_atoms: | 33 |
| TPSA: | 63.68 | NumAromaticRings: | 3 |
