Glycoside
GD145847
Name:
2-{5-[(4-chlorobenzenesulfonamido)methyl]-3,4-dihydroxyoxolan-2-yl}-N-[(4-methoxyphenyl)methyl]acetamideFormula:
C22H25O7N2ClSSmiles:
COc1ccc(CN=C(O)CC2OC(CNS(=O)(=O)c3ccc(Cl)cc3)C(O)C2O)cc1Aglycone:
CNS(=O)(=O)c1ccc(Cl)cc1.COc1ccc(CN=C(C)O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 484.96 | Num_heavy_atoms: | 32 |
| TPSA: | 137.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD18767
Formula: C8H8O2NClS
Smiles:
CNS(=O)(=O)c1ccc(Cl)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.67 | Num_heavy_atoms: | 12 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
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 |
