Glycoside
GD054667
Name:
NoneFormula:
C12H19O8NSSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccco2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1ccco1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 337.35 | Num_heavy_atoms: | 22 |
| TPSA: | 138.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD27859
Formula: C6H9O4NS
Smiles:
O=S(=O)(NCCO)c1ccco1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 191.21 | Num_heavy_atoms: | 12 |
| TPSA: | 79.54 | NumAromaticRings: | 1 |
