Glycoside
GD019476
Name:
NoneFormula:
C35H48O19NF17SSmiles:
O=C(CCSCCC(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[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(CCSCCC(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)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.97 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 25 |
| MolWt: | 1141.79 | Num_heavy_atoms: | 73 |
| TPSA: | 327.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD13592
Formula: C17H18O4NF17S
Smiles:
O=C(CCSCCC(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: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 16 |
| MolWt: | 655.37 | Num_heavy_atoms: | 40 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
