Glycoside
GD035320
Name:
NoneFormula:
C14H22O6N2SSmiles:
CCN(CC)C(=O)c1csc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)n1Aglycone:
CCN(CC)C(=O)c1cscn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 346.4 | Num_heavy_atoms: | 23 |
| TPSA: | 123.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD22362
Formula: C8H12ON2S
Smiles:
CCN(CC)C(=O)c1cscn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.26 | Num_heavy_atoms: | 12 |
| TPSA: | 33.2 | NumAromaticRings: | 1 |
