Glycoside
GD055028
Name:
NoneFormula:
C14H22O6N2SSmiles:
CC(C)c1nc(CN(C)C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cs1Aglycone:
CNCc1csc(C(C)C)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 346.41 | Num_heavy_atoms: | 23 |
| TPSA: | 131.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD27951
Formula: C8H14N2S
Smiles:
CNCc1csc(C(C)C)n1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 170.28 | Num_heavy_atoms: | 11 |
| TPSA: | 24.92 | NumAromaticRings: | 1 |
