Glycoside
GD145017
Name:
2-[3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamideFormula:
C16H24O7N2SSmiles:
COc1ccc(CN=C(O)CC2OC(CNS(C)(=O)=O)C(O)C2O)cc1Aglycone:
CNS(C)(=O)=O.COc1ccc(CN=C(C)O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 388.44 | Num_heavy_atoms: | 26 |
| TPSA: | 137.68 | NumAromaticRings: | 1 |
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 |
AD47632
Formula: C10H13O2N
Smiles:
COc1ccc(CN=C(C)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 41.82 | NumAromaticRings: | 1 |
