Glycoside
GD031951
Name:
NoneFormula:
C20H24O6N2SSmiles:
Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@](O)(CNC(=O)c3ccccc3)[C@H]2O)cc1Aglycone:
CNC(=O)c1ccccc1.CNS(=O)(=O)c1ccc(C)cc1Sugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.49 | Num_heavy_atoms: | 29 |
| TPSA: | 124.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD01201
Formula: C8H9ON
Smiles:
CNC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD08435
Formula: C8H11O2NS
Smiles:
CNS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 185.25 | Num_heavy_atoms: | 12 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
