Glycoside
GD114340
Name:
2-{[3-hydroxy-6-(methoxyimino)-3,6-dihydro-2H-thiopyran-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C12H19O8NSSmiles:
CON=C1C=CC(O)C(OC2OC(CO)C(O)C(O)C2O)S1Aglycone:
CON=C1C=CC(O)C(O)S1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 337.35 | Num_heavy_atoms: | 22 |
| TPSA: | 141.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD44999
Formula: C6H9O3NS
Smiles:
CON=C1C=CC(O)C(O)S1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.21 | Num_heavy_atoms: | 11 |
| TPSA: | 62.05 | NumAromaticRings: | 0 |
