Glycoside
GD089965
Name:
NoneFormula:
C15H18O7N2S3Smiles:
O=S(=O)(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1nccs1Aglycone:
O=S(=O)(Nc1ccc(S)cc1)c1nccs1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.52 | Num_heavy_atoms: | 27 |
| TPSA: | 149.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD39146
Formula: C9H8O2N2S3
Smiles:
O=S(=O)(Nc1ccc(S)cc1)c1nccs1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.38 | Num_heavy_atoms: | 16 |
| TPSA: | 59.06 | NumAromaticRings: | 2 |
