Glycoside
GD001538
Name:
NoneFormula:
C16H18O9SSmiles:
O=S(=O)(O)OC[C@@H]1O[C@H](Oc2cccc3ccccc23)[C@H](O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)O.Oc1cccc2ccccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.38 | Num_heavy_atoms: | 26 |
| TPSA: | 142.75 | NumAromaticRings: | 2 |
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 |
AD01534
Formula: C10H8O
Smiles:
Oc1cccc2ccccc12| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.17 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
