Glycoside
GD151893
Name:
GlucoerysolinFormula:
C12H23O11NS3Smiles:
CS(=O)(=O)CCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CS(=O)(=O)CCCCC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 453.51 | Num_heavy_atoms: | 27 |
| TPSA: | 200.25 | NumAromaticRings: | 0 |
Unique Aglycone
AD46829
Formula: C6H13O6NS3
Smiles:
CS(=O)(=O)CCCCC(S)=NOS(=O)(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 291.37 | Num_heavy_atoms: | 16 |
| TPSA: | 110.1 | NumAromaticRings: | 0 |
