Glycoside
GD014574
Name:
NoneFormula:
C22H31O9N3SSmiles:
CN(C)c1cccc2c(S(=O)(=O)N(CCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC(N)=O)cccc12Aglycone:
CN(C)c1cccc2c(S(=O)(=O)N(CCO)CC(N)=O)cccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 513.57 | Num_heavy_atoms: | 35 |
| TPSA: | 183.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD10696
Formula: C16H21O4N3S
Smiles:
CN(C)c1cccc2c(S(=O)(=O)N(CCO)CC(N)=O)cccc12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 351.43 | Num_heavy_atoms: | 24 |
| TPSA: | 103.94 | NumAromaticRings: | 2 |
