Glycoside
GD055129
Name:
NoneFormula:
C13H18O6N2SSmiles:
O=C(C(=O)N1CCC[C@@H]1c1nccs1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1csc(C2CCCN2)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 330.36 | Num_heavy_atoms: | 22 |
| TPSA: | 131.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD07819
Formula: C7H10N2S
Smiles:
c1csc(C2CCCN2)n1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.24 | Num_heavy_atoms: | 10 |
| TPSA: | 24.92 | NumAromaticRings: | 1 |
