Glycoside
GD105072
Name:
NoneFormula:
C21H26O8S2Smiles:
CO[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O1Aglycone:
Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1Sugarmoiety:
COC1CC(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.57 | Num_heavy_atoms: | 31 |
| TPSA: | 105.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD00419
Formula: C7H8O3S
Smiles:
Cc1ccc(S(=O)(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.21 | Num_heavy_atoms: | 11 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
