Glycoside
GD099213
Name:
NoneFormula:
C18H22O10S2Smiles:
O=S(=O)(OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COS(=O)(=O)c1ccccc1)c1ccccc1Aglycone:
O=[S](=O)c1ccccc1.O=[S](=O)c1ccccc1Sugarmoiety:
OOCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 11 |
| MolWt: | 462.5 | Num_heavy_atoms: | 30 |
| TPSA: | 167.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD04951
Formula: C6H5O2S
Smiles:
O=[S](=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 141.17 | Num_heavy_atoms: | 9 |
| TPSA: | 34.14 | NumAromaticRings: | 1 |
