Glycoside
GD030336
Name:
NoneFormula:
C16H30O4N2S4Smiles:
CCN(CC)C(=S)SC[C@@H]1OC(O)[C@H](O)[C@H](SC(=S)N(CC)CC)[C@H]1OAglycone:
CCN(CC)C(=S)S.CCN(CC)C(=S)SCSugarmoiety:
OCC1OC(O)C(O)OC1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.69 | Num_heavy_atoms: | 26 |
| TPSA: | 76.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD19629
Formula: C5H11NS2
Smiles:
CCN(CC)C(=S)S| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 149.28 | Num_heavy_atoms: | 8 |
| TPSA: | 3.24 | NumAromaticRings: | 0 |
AD19630
Formula: C6H13NS2
Smiles:
CCN(CC)C(=S)SC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.31 | Num_heavy_atoms: | 9 |
| TPSA: | 3.24 | NumAromaticRings: | 0 |
