Glycoside
GD155262
Name:
3-methoxy-4-({3,4,5-trihydroxy-6-[(sulfooxy)methyl]oxan-2-yl}oxy)benzoic acidFormula:
C14H18O12SSmiles:
COc1cc(C(=O)O)ccc1OC1OC(COS(=O)(=O)O)C(O)C(O)C1OAglycone:
COS(=O)(=O)O.COc1cc(C(=O)O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 410.35 | Num_heavy_atoms: | 27 |
| TPSA: | 189.28 | 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 |
AD08832
Formula: C8H8O4
Smiles:
COc1cc(C(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
