Glycoside
GD121926
Name:
3-(methylsulfanyl)-N-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)prop-2-enamideFormula:
C12H21O7NSSmiles:
CSC=CC(O)=NCCOC1OC(CO)C(O)C(O)C1OAglycone:
CSC=CC(O)=NCCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 323.37 | Num_heavy_atoms: | 21 |
| TPSA: | 131.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD49105
Formula: C6H11O2NS
Smiles:
CSC=CC(O)=NCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 161.23 | Num_heavy_atoms: | 10 |
| TPSA: | 52.82 | NumAromaticRings: | 0 |
