Glycoside
GD093199
Name:
NoneFormula:
C18H22O8S2Smiles:
Cc1ccc(S(=O)(=O)OC[C@H](O)[C@H](O)COS(=O)(=O)c2ccc(C)cc2)cc1Aglycone:
Cc1ccc([S](=O)=O)cc1.Cc1ccc([S](=O)=O)cc1Sugarmoiety:
OOCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 430.5 | Num_heavy_atoms: | 28 |
| TPSA: | 127.2 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
