Glycoside
GD115441
Name:
2-{5-[(4-chlorobenzenesulfonamido)methyl]-3,4-dihydroxyoxolan-2-yl}-N-cyclopropylacetamideFormula:
C17H21O6N2ClSSmiles:
O=S(=O)(NCC1OC(CC(O)=NC2CC2)C(O)C1O)c1ccc(Cl)cc1Aglycone:
CC(O)=NC1CC1.CNS(=O)(=O)c1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 404.87 | Num_heavy_atoms: | 26 |
| TPSA: | 128.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD18767
Formula: C8H8O2NClS
Smiles:
CNS(=O)(=O)c1ccc(Cl)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.67 | Num_heavy_atoms: | 12 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
AD45667
Formula: C5H9ON
Smiles:
CC(O)=NC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
