Glycoside
GD146223
Name:
2-{[1-(hydroxyimino)-2-(4-hydroxyphenyl)ethyl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C14H19O7NSSmiles:
OCC1OC(SC(Cc2ccc(O)cc2)=NO)C(O)C(O)C1OAglycone:
ON=C(S)Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 345.37 | Num_heavy_atoms: | 23 |
| TPSA: | 142.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD58646
Formula: C8H9O2NS
Smiles:
ON=C(S)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 183.23 | Num_heavy_atoms: | 12 |
| TPSA: | 52.82 | NumAromaticRings: | 1 |
