Glycoside
GD100201
Name:
NoneFormula:
C22H21O8N2ClSSmiles:
O=S(=O)(Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1cccc2c(Cl)nccc12Aglycone:
O=S(=O)(Nc1ccc(O)cc1)c1cccc2c(Cl)nccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.93 | Num_heavy_atoms: | 33 |
| TPSA: | 158.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD42344
Formula: C16H11O3N2ClS
Smiles:
O=S(=O)(Nc1ccc(O)cc1)c1cccc2c(Cl)nccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.78 | Num_heavy_atoms: | 22 |
| TPSA: | 79.29 | NumAromaticRings: | 3 |
