Glycoside
GD035817
Name:
NoneFormula:
C13H26O11S2Smiles:
CC[C@H](O)[C@H](O)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H](O)C[S@+]1C[C@H](O)[C@H](O)[C@H]1COAglycone:
C[S+]1CC(O)C(O)C1COSugarmoiety:
CCC(O)C(O)C(O)C(OS(=O)(=O)O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -4.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 422.47 | Num_heavy_atoms: | 26 |
| TPSA: | 208.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD02012
Formula: C6H13O3S
Smiles:
C[S+]1CC(O)C(O)C1CO| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 165.23 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
