Glycoside
GD103758
Name:
NoneFormula:
C20H19O7N2ClS2Smiles:
N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)c1Aglycone:
N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(S)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.96 | Num_heavy_atoms: | 31 |
| TPSA: | 160.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD43872
Formula: C14H9O2N2ClS2
Smiles:
N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(S)cc2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 324.81 | Num_heavy_atoms: | 20 |
| TPSA: | 69.96 | NumAromaticRings: | 2 |
