Glycoside
GD021399
Name:
NoneFormula:
C28H32O12S3Smiles:
COC1OC(COS(=O)(=O)c2ccc(C)cc2)C(O)C(OS(=O)(=O)c2ccc(C)cc2)C1OS(=O)(=O)c1ccc(C)cc1Aglycone:
COS(=O)(=O)c1ccc(C)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 11 |
| MolWt: | 656.75 | Num_heavy_atoms: | 43 |
| TPSA: | 168.8 | NumAromaticRings: | 3 |
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 |
AD01798
Formula: C8H10O3S
Smiles:
COS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.23 | Num_heavy_atoms: | 12 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
