Glycoside
GD013209
Name:
NoneFormula:
C23H28O10NF17SSmiles:
O=C(CC[S+]([O-])CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NC(CO)(CO)COC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(CC[S+]([O-])CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NC(CO)(CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 19 |
| MolWt: | 833.51 | Num_heavy_atoms: | 52 |
| TPSA: | 192.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD09885
Formula: C17H18O5NF17S
Smiles:
O=C(CC[S+]([O-])CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NC(CO)(CO)CO| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 16 |
| MolWt: | 671.37 | Num_heavy_atoms: | 41 |
| TPSA: | 112.85 | NumAromaticRings: | 0 |
