Glycoside
GD145071
Name:
3-hydroxy-4-({3,4,5-trihydroxy-6-[(sulfooxy)methyl]oxan-2-yl}oxy)benzoic acidFormula:
C13H16O12SSmiles:
O=C(O)c1ccc(OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)c(O)c1Aglycone:
COS(=O)(=O)O.O=C(O)c1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 396.33 | Num_heavy_atoms: | 26 |
| TPSA: | 200.28 | 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 |
AD13437
Formula: C7H6O4
Smiles:
O=C(O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
