Glycoside
GD030084
Name:
2-[5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-benzyl-N-methylacetamideFormula:
C21H26O6N2SSmiles:
CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@H](O)[C@H]1OAglycone:
CC(=O)N(C)Cc1ccccc1.CNS(=O)(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 434.51 | Num_heavy_atoms: | 30 |
| TPSA: | 116.17 | NumAromaticRings: | 2 |
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 |
AD19490
Formula: C10H13ON
Smiles:
CC(=O)N(C)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
