Glycoside
GD088733
Name:
NoneFormula:
C14H21O9NS3Smiles:
CS(=O)(=O)CS(=O)(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1Aglycone:
CS(=O)(=O)CS(=O)(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 443.52 | Num_heavy_atoms: | 27 |
| TPSA: | 170.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD38819
Formula: C8H11O4NS3
Smiles:
CS(=O)(=O)CS(=O)(=O)Nc1ccc(S)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 281.38 | Num_heavy_atoms: | 16 |
| TPSA: | 80.31 | NumAromaticRings: | 1 |
