Glycoside
GD131274
Name:
2-{3,4-dihydroxy-5-[(4-methylbenzenesulfonamido)methyl]oxolan-2-yl}-N-(2-methoxyethyl)acetamideFormula:
C17H26O7N2SSmiles:
COCCN=C(O)CC1OC(CNS(=O)(=O)c2ccc(C)cc2)C(O)C1OAglycone:
CNS(=O)(=O)c1ccc(C)cc1.COCCN=C(C)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 402.47 | Num_heavy_atoms: | 27 |
| TPSA: | 137.68 | NumAromaticRings: | 1 |
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 |
AD46272
Formula: C5H11O2N
Smiles:
COCCN=C(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 41.82 | NumAromaticRings: | 0 |
