Glycoside
GD113994
Name:
NoneFormula:
C32H34O8S2Smiles:
Cc1ccc(S(=O)(=O)OC[C@@H](OCc2ccccc2)[C@@H](COS(=O)(=O)c2ccc(C)cc2)OCc2ccccc2)cc1Aglycone:
Cc1ccc([S](=O)=O)cc1.Cc1ccc([S](=O)=O)cc1.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
OOCC(OO)C(COO)OOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 5.59 | Num_rotatable_bonds: | 15 |
| MolWt: | 610.75 | Num_heavy_atoms: | 42 |
| TPSA: | 105.2 | NumAromaticRings: | 4 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD00423
Formula: C7H7O2S
Smiles:
Cc1ccc([S](=O)=O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.2 | Num_heavy_atoms: | 10 |
| TPSA: | 34.14 | NumAromaticRings: | 1 |
