Glycoside
GD101264
Name:
NoneFormula:
C20H26O7N2S2Smiles:
CN(C)S(=O)(=O)c1ccc(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)cc1Aglycone:
CN(C)S(=O)(=O)c1ccc(Nc2ccc(S)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.57 | Num_heavy_atoms: | 31 |
| TPSA: | 139.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD42830
Formula: C14H16O2N2S2
Smiles:
CN(C)S(=O)(=O)c1ccc(Nc2ccc(S)cc2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 308.43 | Num_heavy_atoms: | 20 |
| TPSA: | 49.41 | NumAromaticRings: | 2 |
