Glycoside
GD039504
Name:
(s)-2-amino-4-[(2s,3r)-2,3,5-trihydroxy-4-oxo-pentyl]mercapto-butyric acidFormula:
C9H17O6NSSmiles:
N[C@H](CCSC[C@@H](O)[C@@H](O)C(=O)CO)C(=O)OAglycone:
CSCCC(N)C(=O)OSugarmoiety:
O=C(CO)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 267.3 | Num_heavy_atoms: | 17 |
| TPSA: | 141.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD01546
Formula: C5H11O2NS
Smiles:
CSCCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 149.22 | Num_heavy_atoms: | 9 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
