Glycoside
GD008762
Name:
NoneFormula:
C14H29O5N3SSmiles:
CNC(=O)NC[C@@H]1O[C@H](SCCCCCCN)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNC(=O)NC.NCCCCCCSSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 351.47 | Num_heavy_atoms: | 23 |
| TPSA: | 137.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD00724
Formula: C6H15NS
Smiles:
NCCCCCCS| HBA: | 1 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 133.26 | Num_heavy_atoms: | 8 |
| TPSA: | 26.02 | NumAromaticRings: | 0 |
AD01593
Formula: C3H8ON2
Smiles:
CNC(=O)NC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
