Glycoside
GD006316
Name:
NoneFormula:
C18H28O9SSmiles:
CCCCCCc1ccc(O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CCCCCCc1ccc(O)cc1.COS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 420.48 | Num_heavy_atoms: | 28 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD05243
Formula: C12H18O
Smiles:
CCCCCCc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 178.28 | Num_heavy_atoms: | 13 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
