Glycoside
GD024318
Name:
NoneFormula:
C22H24O6N2SSmiles:
CN(Cc1ccccc1)C(=O)c1ccc2sc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nc2c1Aglycone:
CN(Cc1ccccc1)C(=O)c1ccc2scnc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.51 | Num_heavy_atoms: | 31 |
| TPSA: | 123.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD16245
Formula: C16H14ON2S
Smiles:
CN(Cc1ccccc1)C(=O)c1ccc2scnc2c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 282.37 | Num_heavy_atoms: | 20 |
| TPSA: | 33.2 | NumAromaticRings: | 3 |
