Glycoside
GD046489
Name:
NoneFormula:
C13H16O5SSmiles:
CO[C@H]1OC[C@@H](SC(=O)c2ccccc2)[C@@H](O)[C@@H]1OAglycone:
O=C(S)c1ccccc1Sugarmoiety:
COC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.33 | Num_heavy_atoms: | 19 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD25390
Formula: C7H6OS
Smiles:
O=C(S)c1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.19 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
