Glycoside
GD004639
Name:
NoneFormula:
C11H20O7SSmiles:
CC(C)[C@H](SC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O)C(=O)OAglycone:
CSC(C(=O)O)C(C)CSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 296.34 | Num_heavy_atoms: | 19 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD04026
Formula: C6H12O2S
Smiles:
CSC(C(=O)O)C(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 148.23 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
