Glycoside
GD031053
Name:
NoneFormula:
C16H28O12SSmiles:
CO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CSC(C)C(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CSC(C)C(=O)OSugarmoiety:
COC1OC(CO)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 444.46 | Num_heavy_atoms: | 29 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD03269
Formula: C4H8O2S
Smiles:
CSC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 120.17 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
