Glycoside
GD032192
Name:
NoneFormula:
C25H26O6N2SSmiles:
O=C(NC[C@]1(O)CO[C@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@H]1O)c1ccccc1Aglycone:
CNC(=O)c1ccccc1.CNS(=O)(=O)c1ccc(-c2ccccc2)cc1Sugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 482.56 | Num_heavy_atoms: | 34 |
| TPSA: | 124.96 | NumAromaticRings: | 3 |
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 |
AD20666
Formula: C13H13O2NS
Smiles:
CNS(=O)(=O)c1ccc(-c2ccccc2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 247.32 | Num_heavy_atoms: | 17 |
| TPSA: | 46.17 | NumAromaticRings: | 2 |
