Glycoside
GD131246
Name:
2-[5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(prop-2-yn-1-yl)acetamideFormula:
C16H20O6N2SSmiles:
C#CCN=C(O)CC1OC(CNS(=O)(=O)c2ccccc2)C(O)C1OAglycone:
C#CCN=C(C)O.CNS(=O)(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 368.41 | Num_heavy_atoms: | 25 |
| TPSA: | 128.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD05137
Formula: C7H9O2NS
Smiles:
CNS(=O)(=O)c1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 171.22 | Num_heavy_atoms: | 11 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
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 |
