Glycoside
GD133058
Name:
({[1-(benzoyloxy)butan-2-yl]imino}({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl})methoxy)sulfonic acidFormula:
C18H25O11NS2Smiles:
CCC(COC(=O)c1ccccc1)N=C(OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CCC(COC(=O)c1ccccc1)N=C(S)OS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 495.53 | Num_heavy_atoms: | 32 |
| TPSA: | 192.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD53863
Formula: C12H15O6NS2
Smiles:
CCC(COC(=O)c1ccccc1)N=C(S)OS(=O)(=O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 333.39 | Num_heavy_atoms: | 21 |
| TPSA: | 102.26 | NumAromaticRings: | 1 |
