Glycoside
GD130177
Name:
{[6-(3,4-dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acidFormula:
C14H20O11SSmiles:
COc1ccc(OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)cc1OCAglycone:
COS(=O)(=O)O.COc1ccc(O)cc1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 396.37 | Num_heavy_atoms: | 26 |
| TPSA: | 161.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD12240
Formula: C8H10O3
Smiles:
COc1ccc(O)cc1OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
