Glycoside
GD102909
Name:
NoneFormula:
C20H21O7N2F3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)c1cccc(=O)n1CC(F)(F)FAglycone:
O=C(Nc1ccc(S)cc1)c1cccc(=O)n1CC(F)(F)FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.46 | Num_heavy_atoms: | 33 |
| TPSA: | 141.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD43562
Formula: C14H11O2N2F3S
Smiles:
O=C(Nc1ccc(S)cc1)c1cccc(=O)n1CC(F)(F)F| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.32 | Num_heavy_atoms: | 22 |
| TPSA: | 51.1 | NumAromaticRings: | 2 |
