Glycoside
GD135216
Name:
3-hydroxy-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-2,3,4,5,6,6-hexamethyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]benzoic acidFormula:
C24H36O13Smiles:
CC1(C)OC(C)(OCC2OC(Oc3ccc(C(=O)O)cc3O)C(O)C(O)C2O)C(C)(O)C(C)(O)C1(C)OAglycone:
O=C(O)c1ccc(O)c(O)c1Sugarmoiety:
CC1(C)OC(C)(OCC2OC(O)C(O)C(O)C2O)C(C)(O)C(C)(O)C1(C)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 532.54 | Num_heavy_atoms: | 37 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
