Glycoside
GD141494
Name:
N-[(3,4-dihydroxy-5-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}oxolan-2-yl)methyl]-4-methylbenzene-1-sulfonamideFormula:
C23H30O6N4SSmiles:
Cc1ccc(S(=O)(=O)NCC2OC(CC(=O)N3CCN(c4ccccn4)CC3)C(O)C2O)cc1Aglycone:
CC(=O)N1CCN(c2ccccn2)CC1.CNS(=O)(=O)c1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 490.58 | Num_heavy_atoms: | 34 |
| TPSA: | 132.3 | 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 |
AD36294
Formula: C11H15ON3
Smiles:
CC(=O)N1CCN(c2ccccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.26 | Num_heavy_atoms: | 15 |
| TPSA: | 36.44 | NumAromaticRings: | 1 |
