Glycoside
GD129666
Name:
2-({2-[2,2-bis(ethylsulfanyl)-1-hydroxyethyl]-4-hydroxyoxolan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H30O9S2Smiles:
CCSC(SCC)C(O)C1OCC(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCSC(CO)SCCSugarmoiety:
OCC1OC(OC2C(O)COC2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 430.54 | Num_heavy_atoms: | 27 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD52531
Formula: C6H14OS2
Smiles:
CCSC(CO)SCC| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 166.31 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
