Glycoside
GD108168
Name:
NoneFormula:
C22H23O9N3F2SSmiles:
COc1ccnc(CSc2nc3cc(OC(F)F)ccc3n2[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1OCAglycone:
COc1ccnc(CSC2=Nc3cc(OC(F)F)ccc3[N]2)c1OCSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 543.5 | Num_heavy_atoms: | 37 |
| TPSA: | 165.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD44414
Formula: C16H14O3N3F2S
Smiles:
COc1ccnc(CSC2=Nc3cc(OC(F)F)ccc3[N]2)c1OC| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 366.37 | Num_heavy_atoms: | 25 |
| TPSA: | 67.04 | NumAromaticRings: | 2 |
