Glycoside
GD005145
Name:
NoneFormula:
C16H17O8N2FSSmiles:
Cc1ccc(S(=O)(=O)OC[C@@H]2OC(n3cc(F)c(=O)[nH]c3=O)[C@H](O)[C@H]2O)cc1Aglycone:
COS(=O)(=O)c1ccc(C)cc1.O=c1[nH]cc(F)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.38 | Num_heavy_atoms: | 28 |
| TPSA: | 147.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD01634
Formula: C4H3O2N2F
Smiles:
O=c1[nH]cc(F)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.08 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD01798
Formula: C8H10O3S
Smiles:
COS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.23 | Num_heavy_atoms: | 12 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
