Glycoside
GD059251
Name:
NoneFormula:
C12H25O5NS2Smiles:
CCSC(SCC)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
CCSC(CNC(C)=O)SCCSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 327.47 | Num_heavy_atoms: | 20 |
| TPSA: | 110.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD29398
Formula: C8H17ONS2
Smiles:
CCSC(CNC(C)=O)SCC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 207.36 | Num_heavy_atoms: | 12 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
