Glycoside
GD144116
Name:
GlucobenzosisymbrinFormula:
C17H23O11NS2Smiles:
CC(COC(=O)c1ccccc1)C(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CC(COC(=O)c1ccccc1)C(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 481.5 | Num_heavy_atoms: | 31 |
| TPSA: | 192.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD57933
Formula: C11H13O6NS2
Smiles:
CC(COC(=O)c1ccccc1)C(S)=NOS(=O)(=O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 319.36 | Num_heavy_atoms: | 20 |
| TPSA: | 102.26 | NumAromaticRings: | 1 |
