Glycoside
GD085443
Name:
N-({3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl}methyl)benzenesulfonamideFormula:
C19H28O6N2SSmiles:
CC1CCN(C(=O)C[C@@H]2O[C@H](CNS(=O)(=O)c3ccccc3)[C@@H](O)[C@H]2O)CC1Aglycone:
CC(=O)N1CCC(C)CC1.CNS(=O)(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.51 | Num_heavy_atoms: | 28 |
| TPSA: | 116.17 | 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 |
AD22961
Formula: C8H15ON
Smiles:
CC(=O)N1CCC(C)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 141.21 | Num_heavy_atoms: | 10 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
