Glycoside
GD107380
Name:
N-[(3,4-dihydroxy-5-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}oxolan-2-yl)methyl]-4-methylbenzene-1-sulfonamideFormula:
C25H33O7N3SSmiles:
COc1ccccc1N1CCN(C(=O)C[C@@H]2O[C@H](CNS(=O)(=O)c3ccc(C)cc3)[C@@H](O)[C@H]2O)CC1Aglycone:
CNS(=O)(=O)c1ccc(C)cc1.COc1ccccc1N1CCN(C(C)=O)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 519.62 | Num_heavy_atoms: | 36 |
| TPSA: | 128.64 | 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 |
AD22014
Formula: C13H18O2N2
Smiles:
COc1ccccc1N1CCN(C(C)=O)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.3 | Num_heavy_atoms: | 17 |
| TPSA: | 32.78 | NumAromaticRings: | 1 |
