Glycoside
GD092670
Name:
N-({5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl}methyl)-4-methylbenzene-1-sulfonamideFormula:
C22H26O6N2SSmiles:
Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CC(=O)N3CCc4ccccc43)[C@H](O)[C@@H]2O)cc1Aglycone:
CC(=O)N1CCc2ccccc21.CNS(=O)(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.53 | Num_heavy_atoms: | 31 |
| TPSA: | 116.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD08435
Formula: C8H11O2NS
Smiles:
CNS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 185.25 | Num_heavy_atoms: | 12 |
| 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 |
