Glycoside
GD116147
Name:
Rhamnetin 3'-Glucuronide-3,5,4'-TrisulfateFormula:
C22H20O22S3Smiles:
COc1cc(OS(=O)(=O)O)c2c(=O)c(OS(=O)(=O)O)c(-c3ccc(OS(=O)(=O)O)c(OC4OC(C(=O)O)C(O)C(O)C4O)c3)oc2c1Aglycone:
COc1cc(OS(=O)(=O)O)c2c(=O)c(OS(=O)(=O)O)c(-c3ccc(OS(=O)(=O)O)c(O)c3)oc2c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 11 |
| MolWt: | 732.58 | Num_heavy_atoms: | 47 |
| TPSA: | 346.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD46075
Formula: C16H12O16S3
Smiles:
COc1cc(OS(=O)(=O)O)c2c(=O)c(OS(=O)(=O)O)c(-c3ccc(OS(=O)(=O)O)c(O)c3)oc2c1| HBA: | 16 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 556.46 | Num_heavy_atoms: | 35 |
| TPSA: | 250.47 | NumAromaticRings: | 3 |
