Glycoside
GD079427
Name:
NoneFormula:
C15H21O9NS2Smiles:
COC(=O)CS(=O)(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1Aglycone:
COC(=O)CS(=O)(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 423.47 | Num_heavy_atoms: | 27 |
| TPSA: | 162.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD36317
Formula: C9H11O4NS2
Smiles:
COC(=O)CS(=O)(=O)Nc1ccc(S)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 261.32 | Num_heavy_atoms: | 16 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
