Glycoside
GD098166
Name:
NoneFormula:
C18H25O7N3S2Smiles:
CS(=O)(=O)CCn1cc(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cn1Aglycone:
CS(=O)(=O)CCn1cc(Nc2ccc(S)cc2)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 459.55 | Num_heavy_atoms: | 30 |
| TPSA: | 154.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD41765
Formula: C12H15O2N3S2
Smiles:
CS(=O)(=O)CCn1cc(Nc2ccc(S)cc2)cn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 297.41 | Num_heavy_atoms: | 19 |
| TPSA: | 63.99 | NumAromaticRings: | 2 |
