Glycoside
GD050579
Name:
NoneFormula:
C12H16O7SSmiles:
O=S(=O)(OC[C@H](O)[C@H]1OC[C@@H](O)[C@H]1O)c1ccccc1Aglycone:
O=S(=O)(OCCO)c1ccccc1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.32 | Num_heavy_atoms: | 20 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD26656
Formula: C8H10O4S
Smiles:
O=S(=O)(OCCO)c1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 202.23 | Num_heavy_atoms: | 13 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
