Glycoside
GD103762
Name:
NoneFormula:
C20H22O8N2S2Smiles:
COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)c1Aglycone:
COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(S)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 482.54 | Num_heavy_atoms: | 32 |
| TPSA: | 169.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD43873
Formula: C14H12O3N2S2
Smiles:
COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(S)cc2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 320.39 | Num_heavy_atoms: | 21 |
| TPSA: | 79.19 | NumAromaticRings: | 2 |
