Glycoside
GD088727
Name:
NoneFormula:
C15H23O9NS2Smiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccccc2S(C)(=O)=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CS(=O)(=O)c1ccccc1S(=O)(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.48 | Num_heavy_atoms: | 27 |
| TPSA: | 159.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD38817
Formula: C9H13O5NS2
Smiles:
CS(=O)(=O)c1ccccc1S(=O)(=O)NCCO| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 279.34 | Num_heavy_atoms: | 17 |
| TPSA: | 100.54 | NumAromaticRings: | 1 |
