Glycoside
GD083773
Name:
NoneFormula:
C19H25O6N3SSmiles:
Cn1cc(CCC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cn1Aglycone:
Cn1cc(CCC(=O)Nc2ccc(S)cc2)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 423.49 | Num_heavy_atoms: | 29 |
| TPSA: | 137.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD37350
Formula: C13H15ON3S
Smiles:
Cn1cc(CCC(=O)Nc2ccc(S)cc2)cn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 261.35 | Num_heavy_atoms: | 18 |
| TPSA: | 46.92 | NumAromaticRings: | 2 |
