Glycoside
GD142909
Name:
2-{3,4-dihydroxy-5-[(4-methylbenzenesulfonamido)methyl]oxolan-2-yl}-N-phenylacetamideFormula:
C20H24O6N2SSmiles:
Cc1ccc(S(=O)(=O)NCC2OC(CC(O)=Nc3ccccc3)C(O)C2O)cc1Aglycone:
CC(O)=Nc1ccccc1.CNS(=O)(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.49 | Num_heavy_atoms: | 29 |
| TPSA: | 128.45 | 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 |
AD45684
Formula: C8H9ON
Smiles:
CC(O)=Nc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
