Glycoside
GD114566
Name:
2-[3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-(prop-2-yn-1-yl)acetamideFormula:
C11H18O6N2SSmiles:
C#CCN=C(O)CC1OC(CNS(C)(=O)=O)C(O)C1OAglycone:
C#CCN=C(C)O.CNS(C)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 306.34 | Num_heavy_atoms: | 20 |
| TPSA: | 128.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD05521
Formula: C2H7O2NS
Smiles:
CNS(C)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 109.15 | Num_heavy_atoms: | 6 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
AD45077
Formula: C5H7ON
Smiles:
C#CCN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
