Glycoside
GD019626
Name:
NoneFormula:
C33H48O20NF13SSmiles:
O=C(CC[S+]([O-])CCC(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(CC[S+]([O-])CCC(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: | 21 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.97 |
| AlogP: | -4.44 | Num_rotatable_bonds: | 23 |
| MolWt: | 1057.78 | Num_heavy_atoms: | 68 |
| TPSA: | 350.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD13675
Formula: C15H18O5NF13S
Smiles:
O=C(CC[S+]([O-])CCC(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: | 0.93 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 14 |
| MolWt: | 571.35 | Num_heavy_atoms: | 35 |
| TPSA: | 112.85 | NumAromaticRings: | 0 |
