Glycoside
GD152954
Name:
Isorhamnetin 3-Glucuronide-7-SulfateFormula:
C22H20O16SSmiles:
COc1cc(-c2oc3cc(OS(=O)(=O)O)cc(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3cc(OS(=O)(=O)O)cc(O)c3c(=O)c2O)ccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 572.45 | Num_heavy_atoms: | 39 |
| TPSA: | 259.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD60856
Formula: C16H12O10S
Smiles:
COc1cc(-c2oc3cc(OS(=O)(=O)O)cc(O)c3c(=O)c2O)ccc1O| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.33 | Num_heavy_atoms: | 27 |
| TPSA: | 163.73 | NumAromaticRings: | 3 |
