Glycoside
GD120085
Name:
{[(1-hydroxybutan-2-yl)imino]({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl})methoxy}sulfonic acidFormula:
C11H21O10NS2Smiles:
CCC(CO)N=C(OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CCC(CO)N=C(S)OS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 391.42 | Num_heavy_atoms: | 24 |
| TPSA: | 186.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD48196
Formula: C5H11O5NS2
Smiles:
CCC(CO)N=C(S)OS(=O)(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 229.28 | Num_heavy_atoms: | 13 |
| TPSA: | 96.19 | NumAromaticRings: | 0 |
