Glycoside
GD022657
Name:
NoneFormula:
C22H23O8N2ClSSmiles:
CS(=O)(=O)Nc1ccc2c(ccn2-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)c1Aglycone:
CS(=O)(=O)Nc1ccc2c(ccn2-c2ccc(O)c(Cl)c2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.94 | Num_heavy_atoms: | 33 |
| TPSA: | 150.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD15334
Formula: C16H13O3N2ClS
Smiles:
CS(=O)(=O)Nc1ccc2c(ccn2-c2ccc(O)c(Cl)c2)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.8 | Num_heavy_atoms: | 22 |
| TPSA: | 71.33 | NumAromaticRings: | 3 |
