Glycoside
GD033647
Name:
NoneFormula:
C18H23O5N3SSmiles:
CN(C)c1cccc(CNC(=O)c2csc([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)n2)c1Aglycone:
CN(C)c1cccc(CNC(=O)c2cscn2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 393.47 | Num_heavy_atoms: | 27 |
| TPSA: | 115.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD09189
Formula: C13H15ON3S
Smiles:
CN(C)c1cccc(CNC(=O)c2cscn2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 261.35 | Num_heavy_atoms: | 18 |
| TPSA: | 45.23 | NumAromaticRings: | 2 |
