Glycoside
GD092675
Name:
N-({5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl}methyl)benzenesulfonamideFormula:
C21H24O6N2SSmiles:
O=C(C[C@@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O)N1CCc2ccccc21Aglycone:
CC(=O)N1CCc2ccccc21.CNS(=O)(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.5 | 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 |
AD21383
Formula: C10H11ON
Smiles:
CC(=O)N1CCc2ccccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.2 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
