Glycoside
GD099835
Name:
NoneFormula:
C20H22O6N3ClSSmiles:
O=C(C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O)NCc1cccnc1Aglycone:
CC(=O)NCc1cccnc1.CNS(=O)(=O)c1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 455.92 | Num_heavy_atoms: | 30 |
| TPSA: | 137.85 | NumAromaticRings: | 2 |
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 |
AD23110
Formula: C8H10ON2
Smiles:
CC(=O)NCc1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 41.99 | NumAromaticRings: | 1 |
