Glycoside
GD006632
Name:
NoneFormula:
C9H16O5NSBrSmiles:
N[C@H](CCSC[C@@H]1OC(O)[C@H](O)[C@H]1Br)C(=O)OAglycone:
CSCCC(N)C(=O)OSugarmoiety:
OC1OC(O)C(Br)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 330.2 | Num_heavy_atoms: | 17 |
| TPSA: | 113.01 | 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 |
