Glycoside
GD131658
Name:
2-{5-[(4-chlorobenzenesulfonamido)methyl]-3,4-dihydroxyoxolan-2-yl}-N-[2-(dimethylamino)ethyl]acetamideFormula:
C18H26O6N3ClSSmiles:
CN(C)CCN=C(O)CC1OC(CNS(=O)(=O)c2ccc(Cl)cc2)C(O)C1OAglycone:
CC(O)=NCCN(C)C.CNS(=O)(=O)c1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 435.93 | Num_heavy_atoms: | 28 |
| TPSA: | 131.69 | 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 |
AD45401
Formula: C6H14ON2
Smiles:
CC(O)=NCCN(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 35.83 | NumAromaticRings: | 0 |
