Glycoside
GD083401
Name:
NoneFormula:
C15H18O8N2S2Smiles:
O=S(=O)(Nc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1)c1nccs1Aglycone:
O=S(=O)(Nc1ccc(O)cc1)c1nccs1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.45 | Num_heavy_atoms: | 27 |
| TPSA: | 158.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD37231
Formula: C9H8O3N2S2
Smiles:
O=S(=O)(Nc1ccc(O)cc1)c1nccs1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.31 | Num_heavy_atoms: | 16 |
| TPSA: | 79.29 | NumAromaticRings: | 2 |
