Glycoside
GD102024
Name:
NoneFormula:
C21H23O6N2FSSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C1(c2ccc(F)cn2)CC1Aglycone:
O=C(Nc1ccc(S)cc1)C1(c2ccc(F)cn2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.49 | Num_heavy_atoms: | 31 |
| TPSA: | 132.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD43196
Formula: C15H13ON2FS
Smiles:
O=C(Nc1ccc(S)cc1)C1(c2ccc(F)cn2)CC1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.35 | Num_heavy_atoms: | 20 |
| TPSA: | 41.99 | NumAromaticRings: | 2 |
